Public record
Software health reportschema 0.27.0 · metrics 1.13.0 · 2026-07-23 13:09 UTC

openforcefield / openff-utilities

A collection of miscellaneous utility functions used throughout the OpenFF stack

PythonMIT★ 1 star⑂ 4 forkssince Apr 2021View on GitHub ↗

openforcefield/openff-utilities holds a health index of 59 out of 100, placing it in the Moderate band. It scores highest on Engineering Quality (79/100) and lowest on Community & Adoption (41/100). It was last updated 9 days ago. A single contributor accounts for most of its recent work.

59
overall / 100
Moderate

Software health index

Metrics are grouped into weighted categories on one standardized 1–100 scale. Overall starts as their weighted mean; when public evidence triggers the High-Risk Jurisdiction Policy, the rating is adjusted and receives an At risk ceiling of 49. AI Readiness sits outside the overall score.

59
Excellent85-100Exemplary; meets essentially all checked criteria
Good70-84Healthy; minor gaps
Moderate50-69Acceptable with notable gaps; review recommended
At risk30-49Significant weaknesses; adoption warrants caution
Critical1-29Severe problems (abandoned, single-maintainer, no hygiene)
VitalityCommunity &AdoptionSustainability &GovernanceEngineeringQualitySecurityAI Readiness

Score profile

Each axis is a category. The shape matters more than the average — a healthy subject fills the whole shape, while a spike-and-crater profile means strength in one dimension is masking risk in another.

Ownership

237 followers97 public repossince Apr 2016

This repository is backed by an organization — shared, accountable stewardship that can outlive any single maintainer.

Package ecosystems

RegistryPackageVersionDownloads / moVersionsLast publish
PyPIopenff-utilities0.1.16-1147 days ago

Metrics by category

Vitality

Is the project alive — is code being written and are releases shipping?

63Moderate · 22% of overall
How it's scored
28.8/36Push recency — last push 9 days ago
11.8/36Commit cadence — 17/52 weeks with commits
12.2/18Commit volume — 22 commits in the last year
5/10OpenSSF Scorecard: Maintained — 6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5
Inputs used
commits_last_year22
human_commit_share0.63
days_since_last_push9
active_weeks_last_year17
How it's scored
27/27Ships releases — 17 releases published
16.2/36Release recency — latest release 341 days ago
19.8/27Release cadence — a release every ~114.6 days
0/10OpenSSF Scorecard: Signed-Releases — no data
Inputs used
releases_count17
latest_release_tagv0.1.16
releases_from_tagsno
days_since_latest_release341
mean_days_between_releases114.6
Excluded from scoring (no data or not applicable): OpenSSF Scorecard: Signed-Releases. Remaining weights renormalized.

Community & Adoption

Does the project have users, downloads, attention, and a welcoming setup for contributors?

41At risk · 18% of overall
How it's scored
0/60Stars — 1 stars
4/25Forks — 4 forks
6.5/15Watchers — 16 watchers
Inputs used
forks4
stars1
watchers16
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history
How it's scored
22.5/22.5README
22.5/22.5License — recognized license (MIT)
18/18CONTRIBUTING guide
0/13.5Code of conduct
0/7.2Issue template
6.3/6.3PR template
Inputs used
has_readmeyes
has_licenseyes
has_contributingyes
has_issue_templateno
has_code_of_conductno
has_pull_request_templateyes

Sustainability & Governance

Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?

57Moderate · 24% of overall
How it's scored
9/54Bus factor — 1 contributor(s) cover half of all commits
1.2/22.5Commit distribution — top contributor authored 95% of commits
5.4/13.5Contributor breadth — 4 contributors
10/10OpenSSF Scorecard: Contributors — project has 8 contributing companies or organizations
Inputs used
bus_factor1
contributors_sampled4
top_contributor_share0.946
How it's scored
39.3/46.8Issue resolution — 84% of issues closed
32.9/38.3PR acceptance — 111/129 decided PRs merged
1.5/15OpenSSF Scorecard: Code-Review — Found 2/11 approved changesets -- score normalized to 1
Inputs used
merged_prs111
open_issues4
closed_issues21
issue_closed_ratio0.84
closed_unmerged_prs18
How it's scored
30/30Ownership backing — organization-owned
0/20Verified domain
17.1/25Owner reach — 237 followers of openforcefield
25/25Track record — 97 public repos, account ~10 yr old
Inputs used
followers237
owner_typeOrganization
is_verified
owner_loginopenforcefield
public_repos97
account_age_days3,747
How it's scored
25/25Published & resolvable — 1 package(s) on pypi
35/35Publish recency — latest publish 147 days ago
4/20Version history — 1 published versions
0/20Not deprecated — openff-utilities: deprecated/yanked on the registry
Inputs used
packagesopenff-utilities
ecosystemspypi
any_deprecatedyes
min_days_since_publish147

Engineering Quality

Are baseline engineering and documentation practices in place?

79Good · 20% of overall
How it's scored
24/24CI workflows — 2 workflow(s)
24/24Tests present
16/16Linter config
9.6/9.6Pre-commit hooks
0/6.4.editorconfig
8/20OpenSSF Scorecard: CI-Tests — 14 out of 29 merged PRs checked by a CI test -- score normalized to 4
Inputs used
has_ciyes
has_testsyes
has_editorconfigno
has_linter_configyes
has_precommit_configyes
How it's scored
30/30README
25/25Documentation directory
0/15Documentation / homepage site
10/10Repository description
0/10Topics
10/10Wiki
Inputs used
topics
has_wikiyes
homepage
has_readmeyes
has_docs_diryes
has_descriptionyes

Security

Are visible security and supply-chain practices strong, without unresolved high-risk jurisdiction exposure?

51Moderate · 16% of overall
How it's scored
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — no data
1/2.5CI-Tests — 14 out of 29 merged PRs checked by a CI test -- score normalized to 4
0/2.5CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected
0.8/7.5Code-Review — Found 2/11 approved changesets -- score normalized to 1
2.5/2.5Contributors — project has 8 contributing companies or organizations
10/10Dangerous-Workflow — no dangerous workflow patterns detected
7.5/7.5Dependency-Update-Tool — update tool detected
0/5Fuzzing — project is not fuzzed
2.5/2.5License — license file detected
3.8/7.5Maintained — 6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5
0/5Packaging — no data
0/5Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
0/5SAST — SAST tool is not run on all commits -- score normalized to 0
0/5Security-Policy — security policy file not detected
0/7.5Signed-Releases — no data
0/7.5Token-Permissions — detected GitHub workflow tokens with excessive permissions
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
Inputs used
sourceopenssf_scorecard
checks_evaluated15
scorecard_versionv5.5.0
checks_inconclusive3
scorecard_aggregate5.1
Excluded from scoring (no data or not applicable): branch_protection, packaging, signed_releases. Remaining weights renormalized.

AI Readiness

How well is the repo equipped to be developed and maintained with AI coding agents? An independent, experimental badge — weight 0.0, so it is surfaced on its own and does not affect the overall health score.

59Moderate · 0% of overall
How it's scored
0/45Agent instructions — no CLAUDE.md / AGENTS.md / editor rules
0/15Machine-readable docs (llms.txt)
33/40Legible commit history — 39 of 63 human commits state their intent (structured subject or explanatory body)
Inputs used
has_llms_txtno
legible_history_share0.619
agent_instruction_files
agent_instruction_max_bytes
How it's scored
18/18One-command bootstrap — docs/Makefile
22/22Automated tests
11/11Lint / format config
11/11Static type checking — openff/utilities/py.typed
0/10Reproducible environment
0/10Demonstrated agent practice — no agent-authored commits among the last 100
8/8Automated maintenance — 19 of the last 100 commits are automated dependency updates
0/10OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
Inputs used
has_nixno
has_testsyes
lockfiles
has_dockerfileno
typed_languageno
bootstrap_filesdocs/Makefile
has_devcontainerno
has_linter_configyes
typecheck_configsopenff/utilities/py.typed
agent_commit_share0
toolchain_manifests
dependency_bot_commit_share0.19
How it's scored
27/45Type-checkable code — Python with type-check config (openff/utilities/py.typed)
55/55Manageable file sizes — 0/15 source files over 60KB
Inputs used
primary_languagePython
largest_source_bytes7,400
source_files_sampled15
oversized_source_files0

Key facts

1GitHub stars
4contributors
22commits, last 12 months
9days since last push
17releases
1bus factor
4open issues
PyPIpackage ecosystems

Data collection warnings

  • Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token
  • No resolved dependencies carried a version and a supported ecosystem

More detail

Star and fork history 0 ★ / 4 ⇿
0Stars
4Forks
3Releases

When each star and fork was added, collected from GitHub and bucketed by day. Cumulative growth sits directly above the daily additions it is made of, so the two read against each other: steady organic accretion looks nothing like an abrupt, short-lived burst. Where that difference is measurable, it is reported as growth authenticity.

12233312024-092025-012025-05
Major 0Minor 0Patch 3
OpenSSF Scorecard 5.1 / 10
5.1aggregate

Independent, tool-agnostic security assessment from the open-source OpenSSF Scorecard. Each check rewards a security practice, not a specific vendor's tool. Checks Scorecard could not determine are marked n/a and excluded from the security score (never counted as zero).Scorecard v5.5.0 · 2026-07-23 13:09 UTC

10Binary-Artifactsno binaries found in the repo
n/aBranch-Protectioninternal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md
4CI-Tests14 out of 29 merged PRs checked by a CI test -- score normalized to 4
0CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
1Code-ReviewFound 2/11 approved changesets -- score normalized to 1
10Contributorsproject has 8 contributing companies or organizations
10Dangerous-Workflowno dangerous workflow patterns detected
10Dependency-Update-Toolupdate tool detected
0Fuzzingproject is not fuzzed
10Licenselicense file detected
5Maintained6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5
n/aPackagingpackaging workflow not detected
0Pinned-Dependenciesdependency not pinned by hash detected -- score normalized to 0
0SASTSAST tool is not run on all commits -- score normalized to 0
0Security-Policysecurity policy file not detected
n/aSigned-Releasesno releases found
0Token-Permissionsdetected GitHub workflow tokens with excessive permissions
10Vulnerabilities0 existing vulnerabilities detected
All dependencies 2

Full resolved dependency set from the GitHub dependency graph: 0 direct and 2 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.

RegistryPackageVersionRelation
PyPIsetuptoolsindirect
PyPIsetuptools-scmindirect
Dependency advisories not assessed

Advisory matching could not run for this report: No resolved dependencies carried a version and a supported ecosystem

Raw JSON report machine-readable
{
  "data": {
    "repo": {
      "topics": [],
      "is_fork": false,
      "size_kb": 495,
      "has_wiki": true,
      "homepage": null,
      "languages": {
        "Python": 22873
      },
      "pushed_at": "2026-07-13T22:55:47Z",
      "created_at": "2021-04-06T16:07:28Z",
      "owner_type": "Organization",
      "updated_at": "2026-07-13T22:55:44Z",
      "description": "A collection of miscellaneous utility functions used throughout the OpenFF stack",
      "is_archived": false,
      "is_disabled": false,
      "license_spdx": "MIT",
      "default_branch": "main",
      "license_spdx_raw": "MIT",
      "primary_language": "Python",
      "significant_languages": [
        "Python"
      ]
    },
    "owner": {
      "blog": "https://docs.openforcefield.org",
      "name": "Open Force Field Initiative",
      "type": "Organization",
      "login": "openforcefield",
      "company": null,
      "location": null,
      "followers": 237,
      "avatar_url": "https://avatars.githubusercontent.com/u/18539698?v=4",
      "created_at": "2016-04-18T20:58:26Z",
      "is_verified": null,
      "public_repos": 97,
      "account_age_days": 3747
    },
    "license": {
      "state": "standard",
      "spdx_id": "MIT",
      "raw_spdx": "MIT",
      "file_present": true,
      "scorecard_found": true,
      "profile_has_license": true
    },
    "activity": {
      "releases": [
        {
          "tag": "v0.1.16",
          "kind": "patch",
          "published_at": "2025-08-15T22:06:39Z"
        },
        {
          "tag": "v0.1.15",
          "kind": "patch",
          "published_at": "2025-02-06T15:38:20Z"
        },
        {
          "tag": "v0.1.14",
          "kind": "patch",
          "published_at": "2025-01-27T20:21:14Z"
        },
        {
          "tag": "v0.1.13",
          "kind": "patch",
          "published_at": "2024-12-02T22:51:02Z"
        },
        {
          "tag": "v0.1.12",
          "kind": "patch",
          "published_at": "2023-12-14T21:24:13Z"
        },
        {
          "tag": "v0.1.11",
          "kind": "patch",
          "published_at": "2023-10-23T15:35:08Z"
        },
        {
          "tag": "v0.1.10",
          "kind": "patch",
          "published_at": "2023-10-05T16:18:40Z"
        },
        {
          "tag": "v0.1.9",
          "kind": "patch",
          "published_at": "2023-07-14T14:57:05Z"
        },
        {
          "tag": "v0.1.8",
          "kind": "patch",
          "published_at": "2023-01-19T16:57:56Z"
        },
        {
          "tag": "v0.1.7",
          "kind": "patch",
          "published_at": "2022-10-19T22:07:16Z"
        },
        {
          "tag": "v0.1.6",
          "kind": "patch",
          "published_at": "2022-09-21T14:05:24Z"
        },
        {
          "tag": "v0.1.5",
          "kind": "patch",
          "published_at": "2022-06-10T16:46:06Z"
        },
        {
          "tag": "v0.1.4",
          "kind": "patch",
          "published_at": "2022-06-10T14:11:09Z"
        },
        {
          "tag": "v0.1.3",
          "kind": "patch",
          "published_at": "2022-02-08T16:40:38Z"
        },
        {
          "tag": "v0.1.2",
          "kind": "patch",
          "published_at": "2022-02-07T20:56:33Z"
        },
        {
          "tag": "v0.1.1",
          "kind": "patch",
          "published_at": "2021-07-22T16:24:23Z"
        },
        {
          "tag": "0.1.0",
          "kind": "minor",
          "published_at": "2021-05-18T19:17:09Z"
        }
      ],
      "recent_commits": [
        {
          "oid": "ef92f3e661e4dcb1d7b8be80ec12352c0ff349b6",
          "body": "* Build(deps): Bump prefix-dev/setup-pixi from 0.9.5 to 0.10.0\n\nBumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.9.5 to 0.10.0.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.9.5...v0.\n[…]\ngned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>\nCo-authored-by: Matthew W. Thompson <mattwthompson@protonmail.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.9.5 to 0.10.0 (#154)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-07-13T22:55:40Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "4955848d76dc09fec02fe3c688ac86ca4b322e87",
          "body": "* [pre-commit.ci] pre-commit autoupdate\n\nupdates:\n- [github.com/astral-sh/ruff-pre-commit: v0.14.14 → v0.15.20](https://github.com/astral-sh/ruff-pre-commit/compare/v0.14.14...v0.15.20)\n- [github.com/tox-dev/pyproject-fmt: v2.11.1 → v2.25.1](https://github.com/tox-dev/pyproject-fmt/compare/v2.11.1..\n[…]\ne https://pre-commit.ci\n\n* Lint\n\n---------\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>\nCo-authored-by: Matthew W. Thompson <mattwthompson@protonmail.com>",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#155)",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2026-07-07T15:06:51Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "a10fc7967efe21db50ffe4c74b06ed850c5d7082",
          "body": "Bumps [actions/checkout](https://github.com/actions/checkout) from 6 to 7.\n- [Release notes](https://github.com/actions/checkout/releases)\n- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)\n- [Commits](https://github.com/actions/checkout/compare/v6...v7)\n\n---\nupdated-dependenc\n[…]\nirect:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump actions/checkout from 6 to 7 (#153)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-06-19T15:35:58Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "5ec6651ef2b11e1f5430c10e4e78b35ae643a7d7",
          "body": "Bumps [codecov/codecov-action](https://github.com/codecov/codecov-action) from 6 to 7.\n- [Release notes](https://github.com/codecov/codecov-action/releases)\n- [Changelog](https://github.com/codecov/codecov-action/blob/main/CHANGELOG.md)\n- [Commits](https://github.com/codecov/codecov-action/compare/v\n[…]\nirect:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump codecov/codecov-action from 6 to 7 (#152)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-06-09T12:54:16Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "1bbda21bd64a69c446919b7051e2c4db3a997402",
          "body": "* Drop Python 3.11 support\n\n* Small tweaks",
          "is_bot": false,
          "headline": "Drop Python 3.11 support (#150)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2026-04-27T20:28:50Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "a3629528000582465ee1d466ca8377fce9ead5a9",
          "body": "Bumps [conda-incubator/setup-miniconda](https://github.com/conda-incubator/setup-miniconda) from 3 to 4.\n- [Release notes](https://github.com/conda-incubator/setup-miniconda/releases)\n- [Changelog](https://github.com/conda-incubator/setup-miniconda/blob/main/CHANGELOG.md)\n- [Commits](https://github.\n[…]\nirect:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump conda-incubator/setup-miniconda from 3 to 4 (#149)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-04-24T14:49:31Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "7bc4a2fcdfda94c1184dcf73a245840b966f22d1",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.9.4 to 0.9.5.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.9.4...v0.9.5)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/set\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.9.4 to 0.9.5 (#144)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-04-01T02:31:51Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "9ba5f46f7d6f69687641b077eabbd86f435f41c1",
          "body": "Bumps [mamba-org/setup-micromamba](https://github.com/mamba-org/setup-micromamba) from 2 to 3.\n- [Release notes](https://github.com/mamba-org/setup-micromamba/releases)\n- [Commits](https://github.com/mamba-org/setup-micromamba/compare/v2...v3)\n\n---\nupdated-dependencies:\n- dependency-name: mamba-org/\n[…]\nirect:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump mamba-org/setup-micromamba from 2 to 3 (#142)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-03-30T15:14:36Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "2630dc77f474f5e6cb223beb122bc24e2c05e87e",
          "body": "Bumps [codecov/codecov-action](https://github.com/codecov/codecov-action) from 5 to 6.\n- [Release notes](https://github.com/codecov/codecov-action/releases)\n- [Changelog](https://github.com/codecov/codecov-action/blob/main/CHANGELOG.md)\n- [Commits](https://github.com/codecov/codecov-action/compare/v\n[…]\nirect:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump codecov/codecov-action from 5 to 6 (#143)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-03-30T15:14:25Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "33597d47d09e48008344bfdb0f6c2441fb3b7bb1",
          "body": "* Switch to `setuptools_scm`\n\n* MAINT: Switch to `setuptools_scm`\n\n* Update release history",
          "is_bot": false,
          "headline": "Switch version handling to `setuptools_scm` (#141)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2026-02-10T17:04:56Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "2ef33a6bfc409ca36a27f900e801643c0f28595c",
          "body": "* REF: Use Pixi environments\n\n* FIX: Keep edge case test in place\n\n* MAINT: Skip non-Pixi CI\n\n* FIX: Fix Amber workflow, add typing step\n\n* FIX: Add edge case test as task\n\n* FIX: Do not run tests in typing environment\n\n* MAINT: Try activating environment\n\nTypo\n\n* FIX: More explicitly use Pixi tasks\n[…]\nedundant `pixi run`\n\n* MAINT: Update lockfile\n\n* MAINT: Use frozen pixi environments\n\n* Revert \"MAINT: Try removing redundant `pixi run`\"\n\nThis reverts commit a8fd85151e9330ee1d9dfbce53323a5596143a4c.",
          "is_bot": false,
          "headline": "Use Pixi environments in CI (#139)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2026-01-28T16:53:54Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "9a15d80686ee85112231e782b988d3abe1e38784",
          "body": "updates:\n- [github.com/astral-sh/ruff-pre-commit: v0.14.8 → v0.14.10](https://github.com/astral-sh/ruff-pre-commit/compare/v0.14.8...v0.14.10)\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#138)",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2026-01-05T20:47:34Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "9dffd76d4ccb8d2650cb0d3bdd5fdcf0136b538f",
          "body": "* Test on Python 3.14\n\n* [pre-commit.ci] auto fixes from pre-commit.com hooks\n\nfor more information, see https://pre-commit.ci\n\n* Update linters\n\n* Fix\n\n* Update Pixi workflow\n\n* Update matrix\n\n* Try updating only tested environment\n\n* Try another way\n\n* Try another way\n\n* Skip Python 3.13+ with Pixi for now\n\n* Skip more Pixi stuff\n\n* Turn on CI again\n\n* Fix\n\n---------\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>",
          "is_bot": false,
          "headline": "Test on Python 3.14 (#135)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-12-12T13:44:39Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "a3ea83581f9616a0e5cc090db0e2103060be92b6",
          "body": "Bumps [actions/checkout](https://github.com/actions/checkout) from 5 to 6.\n- [Release notes](https://github.com/actions/checkout/releases)\n- [Changelog](https://github.com/actions/checkout/blob/main/CHANGELOG.md)\n- [Commits](https://github.com/actions/checkout/compare/v5...v6)\n\n---\nupdated-dependenc\n[…]\nirect:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump actions/checkout from 5 to 6 (#133)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-11-21T02:36:28Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "0dd2f34223cecccba8837f9906194408500f00a8",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.9.2 to 0.9.3.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.9.2...v0.9.3)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/set\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.9.2 to 0.9.3 (#132)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-11-04T00:33:57Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "a27a8602d055b74f3a7934249faa1ff829752d6e",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.9.1 to 0.9.2.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.9.1...v0.9.2)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/set\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.9.1 to 0.9.2 (#131)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-10-20T16:26:28Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "2297d808475a813a422362c947625f072749d9cd",
          "body": "* Format `pyproject.toml`\n\nFix\n\n* Support PEP 639\n\n* Fix\n\n* Bump\n\n* Manual fix\n\n* Debug\n\n* Skip default workflow\n\n* Debug\n\n* [pre-commit.ci] auto fixes from pre-commit.com hooks\n\nfor more information, see https://pre-commit.ci\n\n* Fix\n\n* Lint\n\n* Debug\n\n* Revert \"Skip default workflow\"\n\nThis reverts commit be9a8283bc8c46cd3cc6602b986301edcea89c8e.\n\n* Fix\n\n---------\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>",
          "is_bot": false,
          "headline": "Configuration updates (#129)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-10-07T16:59:00Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "835f4c93620d8e0bcf489e1d34b5a0732e07c3f1",
          "body": "* [pre-commit.ci] pre-commit autoupdate\n\nupdates:\n- [github.com/astral-sh/ruff-pre-commit: v0.12.11 → v0.13.3](https://github.com/astral-sh/ruff-pre-commit/compare/v0.12.11...v0.13.3)\n- [github.com/adamchainz/blacken-docs: 1.19.1 → 1.20.0](https://github.com/adamchainz/blacken-docs/compare/1.19.1...\n[…]\n2.6.0...v2.7.0)\n\n* Manual fixes\n\n---------\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>\nCo-authored-by: Matthew W. Thompson <mattwthompson@protonmail.com>",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#130)",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2025-10-07T15:07:03Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "8c814b08fcf25f7bcefa6bc7d3192970919c7078",
          "body": "Fix",
          "is_bot": false,
          "headline": "Format `pyproject.toml` (#127)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-08-28T22:15:33Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "5e42036567686fb90240d487caa4e50c09506da1",
          "body": null,
          "is_bot": false,
          "headline": "Finalize 0.1.16 release notes (#126)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-08-15T22:05:14Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "70a24005d83a59994cb9dd0edd98a60575b02719",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.8.10 to 0.9.0.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.8.10...v0.9.0)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/s\n[…]\nirect:production\n  update-type: version-update:semver-minor\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.8.10 to 0.9.0 (#124)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-08-13T19:57:41Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "9ddc8e42a9456942d10582a8eee1b2030585fe3f",
          "body": null,
          "is_bot": true,
          "headline": "Build(deps): Bump actions/checkout from 4 to 5 (#125)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-08-12T11:38:18Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "e0ccbbaede815240cd7bdbf97479a9f467d51fa0",
          "body": "* feat: fix conda/mamba/pixi get packages version\n\n* debug: pixi will automatically change environment if --manifest-path not included\n\n* fix provenance pytest file, change the has_executable method into environment check\n\n* [pre-commit.ci] auto fixes from pre-commit.com hooks\n\nfor more information,\n[…]\nred-by: cyrushu <10833165+cyrushu@users.noreply.github.com>\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>\nCo-authored-by: Jeff Wagner <jwagnerjpl@gmail.com>",
          "is_bot": false,
          "headline": "Improve parsing environment for provenance reporting (#122)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-07-16T16:24:04Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "28d779a4ac8d2aad59d08c7f5c4a23cb878c6837",
          "body": "updates:\n- [github.com/astral-sh/ruff-pre-commit: v0.11.4 → v0.12.2](https://github.com/astral-sh/ruff-pre-commit/compare/v0.11.4...v0.12.2)\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#120)",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2025-07-07T21:59:38Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "693c2097b9f89d4f60381f56d4d041ec3b971cd0",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.8.8 to 0.8.10.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.8.8...v0.8.10)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/s\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.8.8 to 0.8.10 (#119)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-06-17T19:08:48Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "51a751e51c21afbfad80da037e23f8fd7bea18e2",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Work around ParmEd / NumPy incompatibility (#118)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-06-11T16:38:59Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "591a3f39af71ca3371972be3356628a15b6633ec",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.8.7 to 0.8.8.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.8.7...v0.8.8)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/set\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.8.7 to 0.8.8 (#115)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-04-17T14:52:02Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "376449ed9288959f015dc32c66c0eab12d86369f",
          "body": null,
          "is_bot": false,
          "headline": "Remove unused file",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-04-15T14:05:22Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "08451820f70638757e975b2fe8c6a54007df18e3",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.8.4 to 0.8.7.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.8.4...v0.8.7)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/set\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.8.4 to 0.8.7 (#114)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-04-15T13:51:55Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "ceb43b07998933016b4faf273c862070a311cad5",
          "body": "* Drop testing on Python 3.10\n\n* Fix typo",
          "is_bot": false,
          "headline": "Drop Python 3.10 (#113)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-04-11T20:09:29Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "cd6982270053436dd0d550fe1263a0d4e3abd5c8",
          "body": "updates:\n- [github.com/astral-sh/ruff-pre-commit: v0.9.1 → v0.11.4](https://github.com/astral-sh/ruff-pre-commit/compare/v0.9.1...v0.11.4)\n\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#111)",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2025-04-08T13:18:08Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "e713d0a6ea7a4e99979db62c739c3b3d9ac07cce",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.8.3 to 0.8.4.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.8.3...v0.8.4)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/set\n[…]\nirect:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>\nCo-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.8.3 to 0.8.4 (#110)",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-04-01T01:23:08Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "7d10edc92e683402a52a5bc446890151717223fd",
          "body": "* Use stdlib `importlib.resources`\n\n* Drop dependency\n\n* Refactor for cleaner typing\n\n* Fix test\n\n* Fix unrelated drop",
          "is_bot": false,
          "headline": "Use stdlib `importlib.resources` (#108)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-03-27T20:58:12Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "17484a1293b618582a2d8f36eb0fb96459653439",
          "body": "… (#109)",
          "is_bot": false,
          "headline": "Make `MissingOptionalDependencyError` also inherit from `ImportError`…",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-03-27T19:51:51Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "7dbc0f178e3919929eabd4ae6c0c126c4616d245",
          "body": "…/prefix-dev/setup-pixi-0.8.3",
          "is_bot": true,
          "headline": "Merge pull request #106 from openforcefield/dependabot/github_actions…",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-02-28T15:12:19Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "1c443627749dc1a9f59c159cdc589d998df7c373",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Consistently use code coverage in tests",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-02-28T15:04:37Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "c2a6ae0b061f39737a6108826ab41df34868ae7b",
          "body": "Bumps [prefix-dev/setup-pixi](https://github.com/prefix-dev/setup-pixi) from 0.8.1 to 0.8.3.\n- [Release notes](https://github.com/prefix-dev/setup-pixi/releases)\n- [Commits](https://github.com/prefix-dev/setup-pixi/compare/v0.8.1...v0.8.3)\n\n---\nupdated-dependencies:\n- dependency-name: prefix-dev/setup-pixi\n  dependency-type: direct:production\n  update-type: version-update:semver-patch\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.8.1 to 0.8.3",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-02-28T15:02:05Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "07a17f6245e92820fc53cc53125256f49bc9429a",
          "body": "* Test star import\r\n\r\n* Fix test\r\n\r\n* Lint\r\n\r\n* Fix star import / `__all__` definition",
          "is_bot": false,
          "headline": "Fix star import (#104)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-02-13T20:50:58Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "51d4feb1fa842c5ff35a102f1ec8a05602fa15d7",
          "body": null,
          "is_bot": false,
          "headline": "Convert more failures to warnings (#102)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-02-05T21:09:34Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "b6103f9097662e9aa24ad2eb21dbef4dd82c02fd",
          "body": null,
          "is_bot": false,
          "headline": "DOC: Finalize 0.1.14 release notes (#100)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-01-27T19:51:19Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "e31933035204efc6b4fa500981ecda5dd7fd9287",
          "body": "* Consolidate Python config files\r\n\r\n* Fix fetch depth\r\n\r\n* Fix config reference",
          "is_bot": false,
          "headline": "Consolidate Python config files (#94)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-01-21T13:27:31Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "f88523f9887414ba6e6ff7cc3d610ad9fe847a25",
          "body": "* Test on Python 3.13\r\n\r\n* Add comment about upgrading Python version with Mypy",
          "is_bot": false,
          "headline": "Test on Python 3.13 (#95)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-01-16T20:00:39Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "1ebdb4ae74c3c83d1da01eb5427d75c85fcf22a9",
          "body": "updates:\r\n- [github.com/asottile/pyupgrade: v3.19.0 → v3.19.1](https://github.com/asottile/pyupgrade/compare/v3.19.0...v3.19.1)\r\n\r\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#97)",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2025-01-07T16:07:13Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "51e1f532eaaaa4ba9401988e9aadcc50ea713b2c",
          "body": null,
          "is_bot": false,
          "headline": "Drop Miniconda action (#96)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-01-06T15:58:08Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "1bc4d1fe74c119f40b319b8f412aa0d48ec384d1",
          "body": "* feat(pixi-support): add pixi as a conda executable to list package versions\r\n\r\n* feat: add pixi to automatic pipeline tests\r\n\r\n* fix: add quotes for pixi to be compared to current mamba executable in pipelines\r\n\r\n* fix: manifest file needs to be named pyproject.toml for pixi installation\r\n\r\n* misc\n[…]\nrts commit 5a7fe5f921cb3b52ca834de19dc574c03b657029.\r\n\r\n* Split CI into separate actions for simplicity\r\n\r\n* Fix\r\n\r\n* More matrix\r\n\r\n---------\r\n\r\nCo-authored-by: Steven Beckers <sb@terraquantum.swiss>",
          "is_bot": false,
          "headline": "Add pixi support (#90)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-12-16T15:31:06Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "b4d1e26dd0bd31e17e7ede3229f4377408188976",
          "body": "Co-authored-by: Brent Westbrook <36778786+ntBre@users.noreply.github.com>\r\nCo-authored-by: Jeff Wagner <jwagnerjpl@gmail.com>",
          "is_bot": false,
          "headline": "Warn on `conda list` failures (#92)",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-11-22T22:03:54Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "b3e6016a4569823743e45e38bf38dc882e4a6ab5",
          "body": "Bump `setup-micromamba` v2",
          "is_bot": false,
          "headline": "Merge pull request #91 from openforcefield/setup-micromamba-2",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-11-05T16:36:54Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "e45e12d4b17798879e3dc8448449cd7abb3e22d3",
          "body": "Fix",
          "is_bot": false,
          "headline": "Add $CODECOV_TOKEN",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-11-05T16:16:23Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "908d15ca15ba71916b46364629da30f8ffec53d7",
          "body": null,
          "is_bot": false,
          "headline": "Ensure `mamba` is downloaded",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-11-05T15:45:55Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "280562c4c9b747a98d9795844fdff3b9e0e6711c",
          "body": null,
          "is_bot": false,
          "headline": "Bump `setup-micromamba` v2",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-11-05T15:36:51Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "b61b3348c7dc3f8ff50c4eaf73c852e3e0a87856",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #86 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-11-05T15:26:46Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "ba599544e47030afc1bdc63e995b4a5c6892c50e",
          "body": "updates:\n- [github.com/psf/black: 24.8.0 → 24.10.0](https://github.com/psf/black/compare/24.8.0...24.10.0)\n- [github.com/asottile/pyupgrade: v3.17.0 → v3.19.0](https://github.com/asottile/pyupgrade/compare/v3.17.0...v3.19.0)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-11-04T20:59:05Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "98acba9ae171c9c78e7a5bf001559658fde88082",
          "body": "Drop Python 3.9 from tests",
          "is_bot": false,
          "headline": "Merge pull request #84 from openforcefield/drop-python-3.9",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-10-08T21:19:48Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "d93305f28c1e1023d4a524b4fa4f3f495b16e194",
          "body": null,
          "is_bot": false,
          "headline": "Fix syntax",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-10-01T16:35:40Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "3d79cce78073e01e5a0c2ec3aadfd81af066dddf",
          "body": null,
          "is_bot": false,
          "headline": "Drop Python 3.9",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-10-01T16:33:01Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "3bc0aff9223dfce96ed67ac7a2fb4f9d148d7b88",
          "body": "Test one-liner fixes for CI actions",
          "is_bot": false,
          "headline": "Merge pull request #83 from openforcefield/install-to-local-path",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-10-01T16:30:57Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "e1322db40ce62817ef37ccb0d8b06e9b697aff27",
          "body": null,
          "is_bot": false,
          "headline": "Avoid Mamba 2.0",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-10-01T15:24:31Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "5114fe566f7c39008e26d671f137e493efed11c8",
          "body": null,
          "is_bot": false,
          "headline": "Test suggested one-liner fix",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-09-16T20:08:14Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "c2164e966fd153d12eca0bb8bc2d0b2360610feb",
          "body": "Add cron and workflow_dispatch triggers",
          "is_bot": false,
          "headline": "Merge pull request #79 from IAlibay/patch-2",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-09-16T15:55:41Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "0421f59fbbdd97026c620495fa532fc90c522ecd",
          "body": null,
          "is_bot": false,
          "headline": "Add cron and workflow_dispatch triggers",
          "author_name": "Irfan Alibay",
          "author_login": "IAlibay",
          "committed_at": "2024-09-16T10:22:37Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "5b803ebaee28059af313127e9c1857b176d1cd7b",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #76 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-08-06T16:35:17Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "c53423384cc80ab3b71af85bec4ff70c51a11591",
          "body": "updates:\n- [github.com/psf/black: 24.4.2 → 24.8.0](https://github.com/psf/black/compare/24.4.2...24.8.0)\n- [github.com/PyCQA/flake8: 7.1.0 → 7.1.1](https://github.com/PyCQA/flake8/compare/7.1.0...7.1.1)\n- [github.com/asottile/pyupgrade: v3.16.0 → v3.17.0](https://github.com/asottile/pyupgrade/compare/v3.16.0...v3.17.0)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-08-05T20:56:32Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "48badac6f8d2ad7b66905030aff3e7e4000f0293",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #75 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-07-08T14:56:45Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "87f10714eee305bd0b869d185ec7bcb6c9652e02",
          "body": "updates:\n- [github.com/PyCQA/flake8: 7.0.0 → 7.1.0](https://github.com/PyCQA/flake8/compare/7.0.0...7.1.0)\n- [github.com/asottile/pyupgrade: v3.15.2 → v3.16.0](https://github.com/asottile/pyupgrade/compare/v3.15.2...v3.16.0)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-07-01T21:16:40Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "90d49544c6f2c131d7c3edbaef68ade9883d7861",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #74 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-05-07T21:35:43Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "7dde4cc15f0defb7e78564171de135cddc75553e",
          "body": "updates:\n- [github.com/psf/black: 24.3.0 → 24.4.2](https://github.com/psf/black/compare/24.3.0...24.4.2)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-05-06T20:12:35Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "ee9f969c252d02548c08537fb34cb713923eef70",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #73 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-04-03T13:45:41Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "c4f06b4d3ccf588b67758a493ca9435f54913d6a",
          "body": "updates:\n- [github.com/psf/black: 24.1.1 → 24.3.0](https://github.com/psf/black/compare/24.1.1...24.3.0)\n- [github.com/asottile/pyupgrade: v3.15.0 → v3.15.2](https://github.com/asottile/pyupgrade/compare/v3.15.0...v3.15.2)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-04-01T20:13:18Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "b9be9f4abd84bea1bdff0d1cd0d7ac1006170217",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #72 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-02-05T21:42:31Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "66373adf5a87dca40fe33899c7f909c0967da476",
          "body": "updates:\n- [github.com/psf/black: 23.12.1 → 24.1.1](https://github.com/psf/black/compare/23.12.1...24.1.1)\n- [github.com/PyCQA/flake8: 6.1.0 → 7.0.0](https://github.com/PyCQA/flake8/compare/6.1.0...7.0.0)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-02-05T18:52:33Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "65ee0c2a33a2cc805a3fc9039d6a79aad368a1fa",
          "body": "…codecov/codecov-action-4\n\nBuild(deps): Bump codecov/codecov-action from 3 to 4",
          "is_bot": false,
          "headline": "Merge pull request #71 from openforcefield/dependabot/github_actions/…",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-02-01T16:23:27Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "3a2a8b11ece571d71faa13ffc2e20fad36c281fe",
          "body": "Bumps [codecov/codecov-action](https://github.com/codecov/codecov-action) from 3 to 4.\n- [Release notes](https://github.com/codecov/codecov-action/releases)\n- [Changelog](https://github.com/codecov/codecov-action/blob/main/CHANGELOG.md)\n- [Commits](https://github.com/codecov/codecov-action/compare/v\n[…]\nupdated-dependencies:\n- dependency-name: codecov/codecov-action\n  dependency-type: direct:production\n  update-type: version-update:semver-major\n...\n\nSigned-off-by: dependabot[bot] <support@github.com>",
          "is_bot": true,
          "headline": "Build(deps): Bump codecov/codecov-action from 3 to 4",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2024-02-01T00:55:22Z",
          "body_truncated": true,
          "is_coding_agent": false
        },
        {
          "oid": "13ca89aa62026f8dc74d5901962fcee4160e9698",
          "body": "Typing improvements",
          "is_bot": false,
          "headline": "Merge pull request #69 from openforcefield/typing-improvements",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-01-03T13:24:32Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "1c788ce0346cd93ba0b1ecab1d74399ef3dec8d7",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #70 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2024-01-02T15:41:04Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "cbb45b1bd23144370fad2c3edbf8dffb6a7968f6",
          "body": "updates:\n- [github.com/psf/black: 23.11.0 → 23.12.1](https://github.com/psf/black/compare/23.11.0...23.12.1)\n- [github.com/PyCQA/isort: 5.12.0 → 5.13.2](https://github.com/PyCQA/isort/compare/5.12.0...5.13.2)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2024-01-01T18:47:28Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "37cd471a4e6a2fda75c49531c8619ef1adb03c08",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Typing improvements",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-14T22:43:02Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "1e37aa9afa39e9616dd415c97d5e0086e0528909",
          "body": "Check for `micromamba` before checking for `conda`",
          "is_bot": false,
          "headline": "Merge pull request #68 from openforcefield/conda-executable-order",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-14T21:06:47Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "bd87ca86f8cef169926c7f65823c0fbd3ebb1a5f",
          "body": "for more information, see https://pre-commit.ci",
          "is_bot": true,
          "headline": "[pre-commit.ci] auto fixes from pre-commit.com hooks",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2023-12-14T20:27:15Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "39496cc1dbca75d9f175ed2522ed28aa8c432545",
          "body": "…o conda-executable-order",
          "is_bot": false,
          "headline": "Merge remote-tracking branch 'upstream/fix_provenance_micromamba' int…",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-14T20:27:03Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "8fbf591f935fc962ddcdd45916213ff7c8770dfb",
          "body": null,
          "is_bot": false,
          "headline": "FIX: Skip empty line in `micromamba list`",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-14T20:26:16Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "fa31ad058677b48bd515f0bf3a5a6f726f642073",
          "body": null,
          "is_bot": false,
          "headline": "FIX: Check for `micromamba` first",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-14T19:47:55Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "77460451c146753306ae91c5c80c697c643dbcf8",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Test with both Mamba and micromamba",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-14T19:44:44Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "920bfde2c8dc28b0ad38f160229a535f18874ba4",
          "body": null,
          "is_bot": false,
          "headline": "simplify micromamba compatibility code",
          "author_name": "Jeffrey Wagner",
          "author_login": "j-wags",
          "committed_at": "2023-12-14T15:47:23Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "187aed46d9459c9eb22b355aabbe7528572e2663",
          "body": "…/openff-utilities into fix_provenance_micromamba",
          "is_bot": false,
          "headline": "Merge branch 'fix_provenance_micromamba' of github.com:openforcefield…",
          "author_name": "Jeffrey Wagner",
          "author_login": "j-wags",
          "committed_at": "2023-12-13T17:57:41Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "10e3280f6a0db247b9a363bf71ac082e87a432b0",
          "body": null,
          "is_bot": false,
          "headline": "handle another micromamba formatting difference",
          "author_name": "Jeffrey Wagner",
          "author_login": "j-wags",
          "committed_at": "2023-12-13T17:57:31Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "99e4feb5af5195ec966bfe8c30a3d1abed7e6af3",
          "body": "for more information, see https://pre-commit.ci",
          "is_bot": true,
          "headline": "[pre-commit.ci] auto fixes from pre-commit.com hooks",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2023-12-13T17:41:12Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "43289fd6a273c7111b98fea469c6f390b16981a7",
          "body": null,
          "is_bot": false,
          "headline": "fix #65",
          "author_name": "Jeffrey Wagner",
          "author_login": "j-wags",
          "committed_at": "2023-12-13T17:40:38Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "263de563b0f46e7aff1d7e7ea7f28a9cfb55887e",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #64 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-12-04T19:20:59Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "593ddc2fe260dac87c74f09c693ee33b3894e074",
          "body": "updates:\n- [github.com/psf/black: 23.10.1 → 23.11.0](https://github.com/psf/black/compare/23.10.1...23.11.0)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2023-12-04T18:52:19Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "160a31449aacce60dd303a047af9c16ca319a4b6",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #63 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-11-06T20:07:47Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "f369d4a5bdd69fc795f045028557d2b9e442efdc",
          "body": "updates:\n- [github.com/psf/black: 23.10.0 → 23.10.1](https://github.com/psf/black/compare/23.10.0...23.10.1)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2023-11-06T18:53:21Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "e3210d6c4ed12050f6f773f678832130fd4c43a7",
          "body": "Test on Python 3.12",
          "is_bot": false,
          "headline": "Merge pull request #62 from openforcefield/py312",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-23T15:28:20Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "28e1c81162733d02e0db6bb76ac8b303eb89abc4",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Update CI, fix typing error",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-23T15:23:03Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "4aef1529f4d124dd322275db37c5857eeb1a13c1",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Exclude incompatible runs",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-23T15:02:48Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "a19cdfe37a9eceff0a10ac581279615dcd1b10a3",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Fix version setup",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-21T13:15:05Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "8b87aed9934c5682875f23f359d8b2c79c91a4c5",
          "body": null,
          "is_bot": false,
          "headline": "TST: Test on Python 3.12",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-20T21:00:16Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "8cebd96f36ffc5a711e06144221a7c282a9aae37",
          "body": "Fall back to `micromamba` if `conda` not found",
          "is_bot": false,
          "headline": "Merge pull request #61 from openforcefield/micromamba-cli",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-05T16:10:21Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "1a6d47d2d93f6eb70a688c3e728105142298b733",
          "body": null,
          "is_bot": false,
          "headline": "FIX: Fall back to `micromamba`",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-05T14:49:43Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "32ae0c2e0ede5a23aff2df427f90798ae20c482c",
          "body": "[pre-commit.ci] pre-commit autoupdate",
          "is_bot": false,
          "headline": "Merge pull request #59 from openforcefield/pre-commit-ci-update-config",
          "author_name": "Matt Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2023-10-03T12:04:30Z",
          "body_truncated": false,
          "is_coding_agent": false
        },
        {
          "oid": "f492c7310d51de5ffecdff4f226b9b6166f5400b",
          "body": "updates:\n- [github.com/psf/black: 23.7.0 → 23.9.1](https://github.com/psf/black/compare/23.7.0...23.9.1)",
          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate",
          "author_name": "pre-commit-ci[bot]",
          "author_login": "pre-commit-ci[bot]",
          "committed_at": "2023-10-03T02:59:11Z",
          "body_truncated": false,
          "is_coding_agent": false
        }
      ],
      "releases_count": 17,
      "commits_last_year": 22,
      "latest_release_at": "2025-08-15T22:06:39Z",
      "latest_release_tag": "v0.1.16",
      "releases_from_tags": false,
      "days_since_last_push": 9,
      "active_weeks_last_year": 17,
      "days_since_latest_release": 341,
      "mean_days_between_releases": 114.6
    },
    "community": {
      "has_readme": true,
      "has_license": true,
      "has_description": true,
      "has_contributing": true,
      "health_percentage": 62,
      "has_issue_template": false,
      "has_code_of_conduct": false,
      "has_pull_request_template": true
    },
    "ecosystem": {
      "packages": [
        {
          "name": "openff-utilities",
          "exists": true,
          "license": "MIT",
          "keywords": [],
          "ecosystem": "pypi",
          "matches_repo": null,
          "registry_url": "https://pypi.org/project/openff-utilities/",
          "is_deprecated": false,
          "latest_version": "0.1.16",
          "repository_url": null,
          "versions_count": 1,
          "total_downloads": null,
          "dependents_count": null,
          "deprecation_note": null,
          "maintainers_count": null,
          "monthly_downloads": null,
          "first_published_at": "2026-02-26T09:29:46.779776Z",
          "latest_published_at": "2026-02-26T09:29:48.219985Z",
          "latest_version_yanked": true,
          "days_since_latest_publish": 147
        }
      ]
    },
    "popularity": {
      "forks": 4,
      "stars": 1,
      "watchers": 16,
      "fork_history": {
        "days": [
          {
            "date": "2024-09-16",
            "count": 1
          },
          {
            "date": "2024-10-16",
            "count": 1
          },
          {
            "date": "2025-05-20",
            "count": 1
          }
        ],
        "complete": true,
        "collected": 3,
        "total_forks": 4
      },
      "star_history": null,
      "open_issues_and_prs": 5
    },
    "ai_readiness": {
      "has_nix": false,
      "example_dirs": [],
      "has_llms_txt": false,
      "has_dockerfile": false,
      "has_mcp_signal": false,
      "bootstrap_files": [
        "docs/Makefile"
      ],
      "api_schema_files": [],
      "has_devcontainer": false,
      "typecheck_configs": [
        "openff/utilities/py.typed"
      ],
      "toolchain_manifests": [],
      "largest_source_bytes": 7400,
      "source_files_sampled": 15,
      "oversized_source_files": 0,
      "agent_instruction_files": [],
      "agent_instruction_max_bytes": null
    },
    "dependencies": {
      "manifests": [
        "pyproject.toml"
      ],
      "advisories": {
        "error": "No resolved dependencies carried a version and a supported ecosystem",
        "scope": "repository_graph",
        "source": null,
        "findings": [],
        "collected": false,
        "malicious": [],
        "truncated": false,
        "by_severity": {},
        "advisory_count": 0,
        "affected_count": 0,
        "assessed_count": 0,
        "malicious_count": 0,
        "assessed_package": null,
        "unassessed_count": 2,
        "direct_affected_count": 0
      },
      "ecosystems": [
        "pypi"
      ],
      "dependencies": [],
      "all_dependencies": {
        "error": null,
        "source": "github-sbom",
        "packages": [
          {
            "name": "setuptools",
            "direct": false,
            "version": null,
            "ecosystem": "pypi"
          },
          {
            "name": "setuptools-scm",
            "direct": false,
            "version": null,
            "ecosystem": "pypi"
          }
        ],
        "collected": true,
        "truncated": false,
        "total_count": 2,
        "direct_count": 0,
        "indirect_count": 2
      }
    },
    "maintainership": {
      "issues": {
        "open_prs": 1,
        "merged_prs": 111,
        "open_issues": 4,
        "closed_ratio": 0.84,
        "closed_issues": 21,
        "closed_unmerged_prs": 18
      },
      "bus_factor": 1,
      "bot_contributors": 2,
      "top_contributors": [
        {
          "type": "User",
          "login": "mattwthompson",
          "commits": 157,
          "avatar_url": "https://avatars.githubusercontent.com/u/7935382?v=4"
        },
        {
          "type": "User",
          "login": "j-wags",
          "commits": 7,
          "avatar_url": "https://avatars.githubusercontent.com/u/16329175?v=4"
        },
        {
          "type": "User",
          "login": "IAlibay",
          "commits": 1,
          "avatar_url": "https://avatars.githubusercontent.com/u/12460125?v=4"
        },
        {
          "type": "User",
          "login": "SimonBoothroyd",
          "commits": 1,
          "avatar_url": "https://avatars.githubusercontent.com/u/22272126?v=4"
        }
      ],
      "contributors_sampled": 4,
      "top_contributor_share": 0.946
    },
    "quality_signals": {
      "has_ci": true,
      "has_tests": true,
      "ci_workflows": [
        "ci.yaml",
        "ci_pixi.yaml"
      ],
      "has_docs_dir": true,
      "linter_configs": [],
      "has_editorconfig": false,
      "has_linter_config": true,
      "has_precommit_config": true
    },
    "security_signals": {
      "lockfiles": [],
      "scorecard": {
        "checks": [
          {
            "name": "Binary-Artifacts",
            "score": 10,
            "reason": "no binaries found in the repo",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#binary-artifacts"
          },
          {
            "name": "Branch-Protection",
            "score": null,
            "reason": "internal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#branch-protection"
          },
          {
            "name": "CI-Tests",
            "score": 4,
            "reason": "14 out of 29 merged PRs checked by a CI test -- score normalized to 4",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#ci-tests"
          },
          {
            "name": "CII-Best-Practices",
            "score": 0,
            "reason": "no effort to earn an OpenSSF best practices badge detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#cii-best-practices"
          },
          {
            "name": "Code-Review",
            "score": 1,
            "reason": "Found 2/11 approved changesets -- score normalized to 1",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#code-review"
          },
          {
            "name": "Contributors",
            "score": 10,
            "reason": "project has 8 contributing companies or organizations",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#contributors"
          },
          {
            "name": "Dangerous-Workflow",
            "score": 10,
            "reason": "no dangerous workflow patterns detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#dangerous-workflow"
          },
          {
            "name": "Dependency-Update-Tool",
            "score": 10,
            "reason": "update tool detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#dependency-update-tool"
          },
          {
            "name": "Fuzzing",
            "score": 0,
            "reason": "project is not fuzzed",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#fuzzing"
          },
          {
            "name": "License",
            "score": 10,
            "reason": "license file detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#license"
          },
          {
            "name": "Maintained",
            "score": 5,
            "reason": "6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#maintained"
          },
          {
            "name": "Packaging",
            "score": null,
            "reason": "packaging workflow not detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#packaging"
          },
          {
            "name": "Pinned-Dependencies",
            "score": 0,
            "reason": "dependency not pinned by hash detected -- score normalized to 0",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#pinned-dependencies"
          },
          {
            "name": "SAST",
            "score": 0,
            "reason": "SAST tool is not run on all commits -- score normalized to 0",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#sast"
          },
          {
            "name": "Security-Policy",
            "score": 0,
            "reason": "security policy file not detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#security-policy"
          },
          {
            "name": "Signed-Releases",
            "score": null,
            "reason": "no releases found",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#signed-releases"
          },
          {
            "name": "Token-Permissions",
            "score": 0,
            "reason": "detected GitHub workflow tokens with excessive permissions",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#token-permissions"
          },
          {
            "name": "Vulnerabilities",
            "score": 10,
            "reason": "0 existing vulnerabilities detected",
            "documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#vulnerabilities"
          }
        ],
        "commit": "ef92f3e661e4dcb1d7b8be80ec12352c0ff349b6",
        "ran_at": "2026-07-23T13:09:33Z",
        "aggregate_score": 5.1,
        "scorecard_version": "v5.5.0"
      },
      "has_codeql_workflow": false,
      "has_security_policy": false,
      "has_dependabot_config": true
    },
    "contribution_flow": {
      "collected": true,
      "ci_last_run_at": "2026-07-23T09:29:13Z",
      "oldest_open_prs": [
        {
          "number": 147,
          "created_at": "2026-04-17T16:16:50Z",
          "last_comment_at": "2026-04-17T16:48:33Z",
          "last_comment_author": "codecov"
        }
      ],
      "last_merged_pr_at": "2026-07-13T22:55:40Z",
      "ci_last_conclusion": "SUCCESS",
      "oldest_open_issues": [
        {
          "number": 98,
          "created_at": "2025-01-13T16:04:28Z",
          "last_comment_at": "2025-02-28T16:03:51Z",
          "last_comment_author": "mattwthompson"
        },
        {
          "number": 107,
          "created_at": "2025-03-21T13:25:18Z",
          "last_comment_at": "2025-03-21T13:34:08Z",
          "last_comment_author": "mattwthompson"
        },
        {
          "number": 123,
          "created_at": "2025-07-16T16:22:48Z",
          "last_comment_at": null,
          "last_comment_author": null
        },
        {
          "number": 146,
          "created_at": "2026-04-16T14:24:52Z",
          "last_comment_at": "2026-04-17T21:13:51Z",
          "last_comment_author": "mattwthompson"
        }
      ]
    }
  },
  "config": {
    "disabled_metrics": [],
    "disabled_categories": [],
    "disabled_components": {}
  },
  "source": {
    "url": "https://github.com/openforcefield/openff-utilities",
    "host": "github.com",
    "name": "openff-utilities",
    "owner": "openforcefield"
  },
  "metrics": {
    "overall": {
      "key": "overall",
      "band": "moderate",
      "name": "Overall health",
      "note": null,
      "notes": [],
      "value": 59,
      "inputs": {
        "security": 51,
        "vitality": 63,
        "community": 41,
        "governance": 57,
        "engineering": 79
      },
      "components": []
    },
    "categories": [
      {
        "key": "vitality",
        "band": "moderate",
        "name": "Vitality",
        "value": 63,
        "weight": 0.22,
        "metrics": [
          {
            "key": "development_activity",
            "band": "moderate",
            "name": "Development activity",
            "note": null,
            "notes": [],
            "value": 58,
            "inputs": {
              "commits_last_year": 22,
              "human_commit_share": 0.63,
              "days_since_last_push": 9,
              "active_weeks_last_year": 17
            },
            "components": [
              {
                "key": "push_recency",
                "name": "Push recency",
                "detail": "last push 9 days ago",
                "points": 28.8,
                "status": "partial",
                "details": [
                  {
                    "code": "push_recency",
                    "params": {
                      "days": 9
                    }
                  }
                ],
                "max_points": 36
              },
              {
                "key": "commit_cadence",
                "name": "Commit cadence",
                "detail": "17/52 weeks with commits",
                "points": 11.8,
                "status": "partial",
                "details": [
                  {
                    "code": "commit_cadence_weeks",
                    "params": {
                      "weeks": 17
                    }
                  }
                ],
                "max_points": 36
              },
              {
                "key": "commit_volume",
                "name": "Commit volume",
                "detail": "22 commits in the last year",
                "points": 12.2,
                "status": "partial",
                "details": [
                  {
                    "code": "commits_last_year",
                    "params": {
                      "count": 22
                    }
                  }
                ],
                "max_points": 18
              },
              {
                "key": "openssf_scorecard_maintained",
                "name": "OpenSSF Scorecard: Maintained",
                "detail": "6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5",
                "points": 5,
                "status": "partial",
                "details": [],
                "max_points": 10
              }
            ]
          },
          {
            "key": "release_discipline",
            "band": "good",
            "name": "Release discipline",
            "note": "Excluded from scoring (no data or not applicable): OpenSSF Scorecard: Signed-Releases. Remaining weights renormalized.",
            "notes": [
              {
                "code": "excluded_no_data",
                "params": {
                  "components": [
                    "openssf_scorecard_signed_releases"
                  ]
                }
              },
              {
                "code": "weights_renormalized",
                "params": {}
              }
            ],
            "value": 70,
            "inputs": {
              "releases_count": 17,
              "latest_release_tag": "v0.1.16",
              "releases_from_tags": false,
              "days_since_latest_release": 341,
              "mean_days_between_releases": 114.6
            },
            "components": [
              {
                "key": "ships_releases",
                "name": "Ships releases",
                "detail": "17 releases published",
                "points": 27,
                "status": "met",
                "details": [
                  {
                    "code": "releases_published",
                    "params": {
                      "count": 17
                    }
                  }
                ],
                "max_points": 27
              },
              {
                "key": "release_recency",
                "name": "Release recency",
                "detail": "latest release 341 days ago",
                "points": 16.2,
                "status": "partial",
                "details": [
                  {
                    "code": "release_recency",
                    "params": {
                      "days": 341
                    }
                  }
                ],
                "max_points": 36
              },
              {
                "key": "release_cadence",
                "name": "Release cadence",
                "detail": "a release every ~114.6 days",
                "points": 19.8,
                "status": "partial",
                "details": [
                  {
                    "code": "release_cadence",
                    "params": {
                      "gap": 114.6
                    }
                  }
                ],
                "max_points": 27
              },
              {
                "key": "openssf_scorecard_signed_releases",
                "name": "OpenSSF Scorecard: Signed-Releases",
                "detail": "no releases found",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 10
              }
            ]
          },
          {
            "key": "abandonment",
            "band": "excellent",
            "name": "Abandonment",
            "note": null,
            "notes": [],
            "value": 100,
            "inputs": {
              "cap": null,
              "state": "maintained",
              "guards": [],
              "signals": [],
              "red_flag": false,
              "multiplier_pct": 100,
              "declared_reason": null,
              "unverified_reason": null,
              "unanswered_open_prs": null,
              "unanswered_open_issues": null,
              "days_since_last_merged_pr": null,
              "days_since_last_human_commit": 86,
              "days_since_last_human_commit_is_floor": false
            },
            "components": [
              {
                "key": "project_is_still_maintained",
                "name": "Project is still maintained",
                "detail": "last human commit 86 days ago",
                "points": 100,
                "status": "met",
                "details": [
                  {
                    "code": "abandonment_maintained",
                    "params": {
                      "days": 86
                    }
                  }
                ],
                "max_points": 100
              }
            ]
          }
        ],
        "description": "Is the project alive — is code being written and are releases shipping?"
      },
      {
        "key": "community",
        "band": "at_risk",
        "name": "Community & Adoption",
        "value": 41,
        "weight": 0.18,
        "metrics": [
          {
            "key": "popularity",
            "band": "critical",
            "name": "Popularity & adoption",
            "note": null,
            "notes": [],
            "value": 10,
            "inputs": {
              "forks": 4,
              "stars": 1,
              "watchers": 16,
              "growth_state": "unverified",
              "growth_factor_pct": 100,
              "growth_unverified_reason": "no_history"
            },
            "components": [
              {
                "key": "stars",
                "name": "Stars",
                "detail": "1 stars",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "stars",
                    "params": {
                      "count": 1
                    }
                  }
                ],
                "max_points": 60
              },
              {
                "key": "forks",
                "name": "Forks",
                "detail": "4 forks",
                "points": 4,
                "status": "partial",
                "details": [
                  {
                    "code": "forks",
                    "params": {
                      "count": 4
                    }
                  }
                ],
                "max_points": 25
              },
              {
                "key": "watchers",
                "name": "Watchers",
                "detail": "16 watchers",
                "points": 6.5,
                "status": "partial",
                "details": [
                  {
                    "code": "watchers",
                    "params": {
                      "count": 16
                    }
                  }
                ],
                "max_points": 15
              }
            ]
          },
          {
            "key": "community_health",
            "band": "good",
            "name": "Community health",
            "note": null,
            "notes": [],
            "value": 77,
            "inputs": {
              "has_readme": true,
              "has_license": true,
              "has_contributing": true,
              "has_issue_template": false,
              "has_code_of_conduct": false,
              "has_pull_request_template": true
            },
            "components": [
              {
                "key": "readme",
                "name": "README",
                "detail": null,
                "points": 22.5,
                "status": "met",
                "details": [],
                "max_points": 22.5
              },
              {
                "key": "license",
                "name": "License",
                "detail": "recognized license (MIT)",
                "points": 22.5,
                "status": "met",
                "details": [
                  {
                    "code": "license_standard",
                    "params": {}
                  },
                  {
                    "code": "license_spdx",
                    "params": {
                      "spdx": "MIT"
                    }
                  }
                ],
                "max_points": 22.5
              },
              {
                "key": "contributing_guide",
                "name": "CONTRIBUTING guide",
                "detail": null,
                "points": 18,
                "status": "met",
                "details": [],
                "max_points": 18
              },
              {
                "key": "code_of_conduct",
                "name": "Code of conduct",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 13.5
              },
              {
                "key": "issue_template",
                "name": "Issue template",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 7.2
              },
              {
                "key": "pr_template",
                "name": "PR template",
                "detail": null,
                "points": 6.3,
                "status": "met",
                "details": [],
                "max_points": 6.3
              }
            ]
          }
        ],
        "description": "Does the project have users, downloads, attention, and a welcoming setup for contributors?"
      },
      {
        "key": "governance",
        "band": "moderate",
        "name": "Sustainability & Governance",
        "value": 57,
        "weight": 0.24,
        "metrics": [
          {
            "key": "maintainer_resilience",
            "band": "critical",
            "name": "Maintainer resilience (bus factor)",
            "note": null,
            "notes": [],
            "value": 26,
            "inputs": {
              "bus_factor": 1,
              "contributors_sampled": 4,
              "top_contributor_share": 0.946
            },
            "components": [
              {
                "key": "bus_factor",
                "name": "Bus factor",
                "detail": "1 contributor(s) cover half of all commits",
                "points": 9,
                "status": "partial",
                "details": [
                  {
                    "code": "bus_factor",
                    "params": {
                      "count": 1
                    }
                  }
                ],
                "max_points": 54
              },
              {
                "key": "commit_distribution",
                "name": "Commit distribution",
                "detail": "top contributor authored 95% of commits",
                "points": 1.2,
                "status": "partial",
                "details": [
                  {
                    "code": "top_contributor_share",
                    "params": {
                      "share": 95
                    }
                  }
                ],
                "max_points": 22.5
              },
              {
                "key": "contributor_breadth",
                "name": "Contributor breadth",
                "detail": "4 contributors",
                "points": 5.4,
                "status": "partial",
                "details": [
                  {
                    "code": "contributors_sampled",
                    "params": {
                      "count": 4
                    }
                  }
                ],
                "max_points": 13.5
              },
              {
                "key": "openssf_scorecard_contributors",
                "name": "OpenSSF Scorecard: Contributors",
                "detail": "project has 8 contributing companies or organizations",
                "points": 10,
                "status": "met",
                "details": [],
                "max_points": 10
              }
            ]
          },
          {
            "key": "responsiveness",
            "band": "good",
            "name": "Issue & PR responsiveness",
            "note": null,
            "notes": [],
            "value": 74,
            "inputs": {
              "merged_prs": 111,
              "open_issues": 4,
              "closed_issues": 21,
              "issue_closed_ratio": 0.84,
              "closed_unmerged_prs": 18
            },
            "components": [
              {
                "key": "issue_resolution",
                "name": "Issue resolution",
                "detail": "84% of issues closed",
                "points": 39.3,
                "status": "partial",
                "details": [
                  {
                    "code": "issues_closed_share",
                    "params": {
                      "share": 84
                    }
                  }
                ],
                "max_points": 46.75
              },
              {
                "key": "pr_acceptance",
                "name": "PR acceptance",
                "detail": "111/129 decided PRs merged",
                "points": 32.9,
                "status": "partial",
                "details": [
                  {
                    "code": "decided_prs_merged",
                    "params": {
                      "merged": 111,
                      "decided": 129
                    }
                  }
                ],
                "max_points": 38.25
              },
              {
                "key": "openssf_scorecard_code_review",
                "name": "OpenSSF Scorecard: Code-Review",
                "detail": "Found 2/11 approved changesets -- score normalized to 1",
                "points": 1.5,
                "status": "partial",
                "details": [],
                "max_points": 15
              }
            ]
          },
          {
            "key": "stewardship",
            "band": "good",
            "name": "Ownership & stewardship",
            "note": null,
            "notes": [],
            "value": 72,
            "inputs": {
              "followers": 237,
              "owner_type": "Organization",
              "is_verified": null,
              "owner_login": "openforcefield",
              "public_repos": 97,
              "account_age_days": 3747
            },
            "components": [
              {
                "key": "ownership_backing",
                "name": "Ownership backing",
                "detail": "organization-owned",
                "points": 30,
                "status": "met",
                "details": [
                  {
                    "code": "owner_organization",
                    "params": {}
                  }
                ],
                "max_points": 30
              },
              {
                "key": "verified_domain",
                "name": "Verified domain",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 20
              },
              {
                "key": "owner_reach",
                "name": "Owner reach",
                "detail": "237 followers of openforcefield",
                "points": 17.1,
                "status": "partial",
                "details": [
                  {
                    "code": "owner_followers",
                    "params": {
                      "count": 237,
                      "login": "openforcefield"
                    }
                  }
                ],
                "max_points": 25
              },
              {
                "key": "track_record",
                "name": "Track record",
                "detail": "97 public repos, account ~10 yr old",
                "points": 25,
                "status": "met",
                "details": [
                  {
                    "code": "public_repos",
                    "params": {
                      "count": 97
                    }
                  },
                  {
                    "code": "account_age_years",
                    "params": {
                      "years": 10
                    }
                  }
                ],
                "max_points": 25
              }
            ]
          },
          {
            "key": "package_maintenance",
            "band": "moderate",
            "name": "Package maintenance",
            "note": null,
            "notes": [],
            "value": 64,
            "inputs": {
              "packages": [
                "openff-utilities"
              ],
              "ecosystems": "pypi",
              "any_deprecated": true,
              "min_days_since_publish": 147
            },
            "components": [
              {
                "key": "published_resolvable",
                "name": "Published & resolvable",
                "detail": "1 package(s) on pypi",
                "points": 25,
                "status": "met",
                "details": [
                  {
                    "code": "packages_published",
                    "params": {
                      "count": 1,
                      "ecosystems": "pypi"
                    }
                  }
                ],
                "max_points": 25
              },
              {
                "key": "publish_recency",
                "name": "Publish recency",
                "detail": "latest publish 147 days ago",
                "points": 35,
                "status": "met",
                "details": [
                  {
                    "code": "publish_recency",
                    "params": {
                      "days": 147
                    }
                  }
                ],
                "max_points": 35
              },
              {
                "key": "version_history",
                "name": "Version history",
                "detail": "1 published versions",
                "points": 4,
                "status": "partial",
                "details": [
                  {
                    "code": "published_versions",
                    "params": {
                      "count": 1
                    }
                  }
                ],
                "max_points": 20
              },
              {
                "key": "not_deprecated",
                "name": "Not deprecated",
                "detail": "openff-utilities: deprecated/yanked on the registry",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "package_deprecated",
                    "params": {
                      "name": "openff-utilities"
                    }
                  }
                ],
                "max_points": 20
              }
            ]
          }
        ],
        "description": "Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?"
      },
      {
        "key": "engineering",
        "band": "good",
        "name": "Engineering Quality",
        "value": 79,
        "weight": 0.2,
        "metrics": [
          {
            "key": "engineering_practices",
            "band": "good",
            "name": "Engineering practices",
            "note": null,
            "notes": [],
            "value": 82,
            "inputs": {
              "has_ci": true,
              "has_tests": true,
              "has_editorconfig": false,
              "has_linter_config": true,
              "has_precommit_config": true
            },
            "components": [
              {
                "key": "ci_workflows",
                "name": "CI workflows",
                "detail": "2 workflow(s)",
                "points": 24,
                "status": "met",
                "details": [
                  {
                    "code": "ci_workflows",
                    "params": {
                      "count": 2
                    }
                  }
                ],
                "max_points": 24
              },
              {
                "key": "tests_present",
                "name": "Tests present",
                "detail": null,
                "points": 24,
                "status": "met",
                "details": [],
                "max_points": 24
              },
              {
                "key": "linter_config",
                "name": "Linter config",
                "detail": null,
                "points": 16,
                "status": "met",
                "details": [],
                "max_points": 16
              },
              {
                "key": "pre_commit_hooks",
                "name": "Pre-commit hooks",
                "detail": null,
                "points": 9.6,
                "status": "met",
                "details": [],
                "max_points": 9.6
              },
              {
                "key": "editorconfig",
                "name": ".editorconfig",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 6.4
              },
              {
                "key": "openssf_scorecard_ci_tests",
                "name": "OpenSSF Scorecard: CI-Tests",
                "detail": "14 out of 29 merged PRs checked by a CI test -- score normalized to 4",
                "points": 8,
                "status": "partial",
                "details": [],
                "max_points": 20
              }
            ]
          },
          {
            "key": "documentation",
            "band": "good",
            "name": "Documentation",
            "note": null,
            "notes": [],
            "value": 75,
            "inputs": {
              "topics": [],
              "has_wiki": true,
              "homepage": null,
              "has_readme": true,
              "has_docs_dir": true,
              "has_description": true
            },
            "components": [
              {
                "key": "readme",
                "name": "README",
                "detail": null,
                "points": 30,
                "status": "met",
                "details": [],
                "max_points": 30
              },
              {
                "key": "documentation_directory",
                "name": "Documentation directory",
                "detail": null,
                "points": 25,
                "status": "met",
                "details": [],
                "max_points": 25
              },
              {
                "key": "documentation_homepage_site",
                "name": "Documentation / homepage site",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 15
              },
              {
                "key": "repository_description",
                "name": "Repository description",
                "detail": null,
                "points": 10,
                "status": "met",
                "details": [],
                "max_points": 10
              },
              {
                "key": "topics",
                "name": "Topics",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 10
              },
              {
                "key": "wiki",
                "name": "Wiki",
                "detail": null,
                "points": 10,
                "status": "met",
                "details": [],
                "max_points": 10
              }
            ]
          }
        ],
        "description": "Are baseline engineering and documentation practices in place?"
      },
      {
        "key": "security",
        "band": "moderate",
        "name": "Security",
        "value": 51,
        "weight": 0.16,
        "metrics": [
          {
            "key": "security_posture",
            "band": "moderate",
            "name": "Security posture",
            "note": "Excluded from scoring (no data or not applicable): Branch-Protection, Packaging, Signed-Releases. Remaining weights renormalized.",
            "notes": [
              {
                "code": "excluded_no_data",
                "params": {
                  "components": [
                    "branch_protection",
                    "packaging",
                    "signed_releases"
                  ]
                }
              },
              {
                "code": "weights_renormalized",
                "params": {}
              }
            ],
            "value": 51,
            "inputs": {
              "source": "openssf_scorecard",
              "checks_evaluated": 15,
              "scorecard_version": "v5.5.0",
              "checks_inconclusive": 3,
              "scorecard_aggregate": 5.1
            },
            "components": [
              {
                "key": "binary_artifacts",
                "name": "Binary-Artifacts",
                "detail": "no binaries found in the repo",
                "points": 7.5,
                "status": "met",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "branch_protection",
                "name": "Branch-Protection",
                "detail": "internal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 7.5
              },
              {
                "key": "ci_tests",
                "name": "CI-Tests",
                "detail": "14 out of 29 merged PRs checked by a CI test -- score normalized to 4",
                "points": 1,
                "status": "partial",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "cii_best_practices",
                "name": "CII-Best-Practices",
                "detail": "no effort to earn an OpenSSF best practices badge detected",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "code_review",
                "name": "Code-Review",
                "detail": "Found 2/11 approved changesets -- score normalized to 1",
                "points": 0.8,
                "status": "partial",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "contributors",
                "name": "Contributors",
                "detail": "project has 8 contributing companies or organizations",
                "points": 2.5,
                "status": "met",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "dangerous_workflow",
                "name": "Dangerous-Workflow",
                "detail": "no dangerous workflow patterns detected",
                "points": 10,
                "status": "met",
                "details": [],
                "max_points": 10
              },
              {
                "key": "dependency_update_tool",
                "name": "Dependency-Update-Tool",
                "detail": "update tool detected",
                "points": 7.5,
                "status": "met",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "fuzzing",
                "name": "Fuzzing",
                "detail": "project is not fuzzed",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 5
              },
              {
                "key": "license",
                "name": "License",
                "detail": "license file detected",
                "points": 2.5,
                "status": "met",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "maintained",
                "name": "Maintained",
                "detail": "6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5",
                "points": 3.8,
                "status": "partial",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "packaging",
                "name": "Packaging",
                "detail": "packaging workflow not detected",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 5
              },
              {
                "key": "pinned_dependencies",
                "name": "Pinned-Dependencies",
                "detail": "dependency not pinned by hash detected -- score normalized to 0",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 5
              },
              {
                "key": "sast",
                "name": "SAST",
                "detail": "SAST tool is not run on all commits -- score normalized to 0",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 5
              },
              {
                "key": "security_policy",
                "name": "Security-Policy",
                "detail": "security policy file not detected",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 5
              },
              {
                "key": "signed_releases",
                "name": "Signed-Releases",
                "detail": "no releases found",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 7.5
              },
              {
                "key": "token_permissions",
                "name": "Token-Permissions",
                "detail": "detected GitHub workflow tokens with excessive permissions",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "vulnerabilities",
                "name": "Vulnerabilities",
                "detail": "0 existing vulnerabilities detected",
                "points": 7.5,
                "status": "met",
                "details": [],
                "max_points": 7.5
              }
            ]
          },
          {
            "key": "high_risk_jurisdiction_exposure",
            "band": "excellent",
            "name": "High-Risk Jurisdiction Exposure",
            "note": "Only high-confidence self-published location evidence affects this multiplier. Ambiguous matches are review-only; country evidence is not proof of nationality, citizenship, legal registration, malicious intent, or sanctions status.",
            "notes": [
              {
                "code": "jurisdiction_evidence_limits",
                "params": {}
              }
            ],
            "value": 100,
            "inputs": {
              "meaning": "self-published location evidence; not nationality or citizenship",
              "red_flag": false,
              "exposures": [],
              "policy_countries": [
                "Russia",
                "Iran",
                "North Korea"
              ],
              "review_only_matches": 0,
              "assessed_self_published_locations": 5
            },
            "components": [
              {
                "key": "policy_exposure_multiplier",
                "name": "Policy exposure multiplier",
                "detail": "no confirmed policy-scope location match",
                "points": 100,
                "status": "met",
                "details": [
                  {
                    "code": "jurisdiction_no_match",
                    "params": {}
                  }
                ],
                "max_points": 100
              }
            ]
          }
        ],
        "description": "Are visible security and supply-chain practices strong, with no malicious dependency and no unresolved high-risk jurisdiction exposure?"
      },
      {
        "key": "ai_readiness",
        "band": "moderate",
        "name": "AI Readiness",
        "value": 59,
        "weight": 0,
        "metrics": [
          {
            "key": "ai_agent_context",
            "band": "at_risk",
            "name": "Agent context & guidance",
            "note": null,
            "notes": [],
            "value": 33,
            "inputs": {
              "has_llms_txt": false,
              "legible_history_share": 0.619,
              "agent_instruction_files": [],
              "agent_instruction_max_bytes": null
            },
            "components": [
              {
                "key": "agent_instructions",
                "name": "Agent instructions",
                "detail": "no CLAUDE.md / AGENTS.md / editor rules",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "no_agent_instructions",
                    "params": {}
                  }
                ],
                "max_points": 45
              },
              {
                "key": "machine_readable_docs_llms_txt",
                "name": "Machine-readable docs (llms.txt)",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 15
              },
              {
                "key": "legible_commit_history",
                "name": "Legible commit history",
                "detail": "39 of 63 human commits state their intent (structured subject or explanatory body)",
                "points": 33,
                "status": "partial",
                "details": [
                  {
                    "code": "legible_history",
                    "params": {
                      "legible": 39,
                      "sampled": 63
                    }
                  }
                ],
                "max_points": 40
              }
            ]
          },
          {
            "key": "ai_verify_loop",
            "band": "good",
            "name": "Verify loop (build / test / typecheck)",
            "note": null,
            "notes": [],
            "value": 70,
            "inputs": {
              "has_nix": false,
              "has_tests": true,
              "lockfiles": [],
              "has_dockerfile": false,
              "typed_language": false,
              "bootstrap_files": [
                "docs/Makefile"
              ],
              "has_devcontainer": false,
              "has_linter_config": true,
              "typecheck_configs": [
                "openff/utilities/py.typed"
              ],
              "agent_commit_share": 0,
              "toolchain_manifests": [],
              "dependency_bot_commit_share": 0.19
            },
            "components": [
              {
                "key": "one_command_bootstrap",
                "name": "One-command bootstrap",
                "detail": "docs/Makefile",
                "points": 18,
                "status": "met",
                "details": [
                  {
                    "code": "file_list",
                    "params": {
                      "files": "docs/Makefile"
                    }
                  }
                ],
                "max_points": 18
              },
              {
                "key": "automated_tests",
                "name": "Automated tests",
                "detail": null,
                "points": 22,
                "status": "met",
                "details": [],
                "max_points": 22
              },
              {
                "key": "lint_format_config",
                "name": "Lint / format config",
                "detail": null,
                "points": 11,
                "status": "met",
                "details": [],
                "max_points": 11
              },
              {
                "key": "static_type_checking",
                "name": "Static type checking",
                "detail": "openff/utilities/py.typed",
                "points": 11,
                "status": "met",
                "details": [
                  {
                    "code": "file_list",
                    "params": {
                      "files": "openff/utilities/py.typed"
                    }
                  }
                ],
                "max_points": 11
              },
              {
                "key": "reproducible_environment",
                "name": "Reproducible environment",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 10
              },
              {
                "key": "demonstrated_agent_practice",
                "name": "Demonstrated agent practice",
                "detail": "no agent-authored commits among the last 100",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "no_agent_authored_commits",
                    "params": {
                      "sampled": 100
                    }
                  }
                ],
                "max_points": 10
              },
              {
                "key": "automated_maintenance",
                "name": "Automated maintenance",
                "detail": "19 of the last 100 commits are automated dependency updates",
                "points": 8,
                "status": "met",
                "details": [
                  {
                    "code": "dependency_bot_commits",
                    "params": {
                      "count": 19,
                      "sampled": 100
                    }
                  }
                ],
                "max_points": 8
              },
              {
                "key": "openssf_scorecard_pinned_dependencies",
                "name": "OpenSSF Scorecard: Pinned-Dependencies",
                "detail": "dependency not pinned by hash detected -- score normalized to 0",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 10
              }
            ]
          },
          {
            "key": "ai_code_legibility",
            "band": "good",
            "name": "Code legibility for models",
            "note": null,
            "notes": [],
            "value": 82,
            "inputs": {
              "primary_language": "Python",
              "largest_source_bytes": 7400,
              "source_files_sampled": 15,
              "oversized_source_files": 0
            },
            "components": [
              {
                "key": "type_checkable_code",
                "name": "Type-checkable code",
                "detail": "Python with type-check config (openff/utilities/py.typed)",
                "points": 27,
                "status": "partial",
                "details": [
                  {
                    "code": "typecheck_config_language",
                    "params": {
                      "files": "openff/utilities/py.typed",
                      "language": "Python"
                    }
                  }
                ],
                "max_points": 45
              },
              {
                "key": "manageable_file_sizes",
                "name": "Manageable file sizes",
                "detail": "0/15 source files over 60KB",
                "points": 55,
                "status": "met",
                "details": [
                  {
                    "code": "oversized_source_files",
                    "params": {
                      "kb": 60,
                      "sampled": 15,
                      "oversized": 0
                    }
                  }
                ],
                "max_points": 55
              }
            ]
          }
        ],
        "description": "How well is the repo equipped to be developed and maintained with AI coding agents? An independent, experimental badge — weight 0.0, so it is surfaced on its own and does not affect the overall health score."
      }
    ],
    "metrics_version": "1.13.0"
  },
  "warnings": [
    "Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token",
    "No resolved dependencies carried a version and a supported ecosystem"
  ],
  "report_type": "repository",
  "generated_at": "2026-07-23T13:09:52.129693Z",
  "schema_version": "0.27.0",
  "badge_url": "https://raw.githubusercontent.com/inspect-software/badges/main/v1/o/openforcefield/openff-utilities.svg",
  "full_name": "openforcefield/openff-utilities",
  "license_state": "standard",
  "license_spdx": "MIT"
}

Scores are signals, not warranties. They reflect publicly visible practices on GitHub — not a code audit, and not a security guarantee.

Missing data is excluded and weights renormalized, never scored as zero. Methodology is versioned and open: metrics v1.13.0, schema v0.27.0 — full methodology · metrics wiki.

How one result sits in the wider record: aggregate statisticsPyPI.