公开记录
软件健康报告模式 0.27.0 · 指标 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 星标⑂ 4 复刻始于 2021年4月在 GitHub 上查看 ↗

openforcefield/openff-utilities 的健康指数为 100 分中的 59 分,处于「中等」区间。 其得分最高的类别是Engineering Quality(79/100),最低的是Community & Adoption(41/100)。 最近一次更新在 9 天前。 近期的大部分工作由 1 位贡献者完成。

59
总分 / 100
中等

软件健康指数

指标归入加权类别,统一采用 1–100 量表。总体分先取类别加权平均;当公开证据触发高风险司法辖区政策时,评级会按政策调整,并设置 49(有风险)的上限。AI 就绪度不计入总体分。

59
优秀85-100堪称典范;基本满足所有检验标准
良好70-84健康;仅有轻微不足
中等50-69可接受,但存在明显不足;建议进行审查
存在风险30-49存在重大薄弱环节;采用时应保持审慎
危急1-29问题严重(项目被弃置、仅有单一维护者、缺乏基本工程规范)
活力社区与采用可持续性与治理工程质量安全AI 就绪度

评分画像

每条轴代表一个类别。形状比平均值更重要——健康的对象会填满整个图形,而“一峰一谷”式画像意味着某一维度的优势正掩盖另一维度的风险。

所有权

237 关注者97 个公开仓库始于 2016年4月

该仓库由组织支持——共同承担、可问责的托管责任,可延续于任何单一维护者之后。

软件包生态系统

注册表软件包版本月下载量版本数最近发布
PyPIopenff-utilities0.1.16-1147 天前

按类别列示的指标

活力

项目是否仍有生命——是否仍在编写代码,是否仍在发布版本?

63中等 · 占总体的 22%
评分方式
28.8/36推送新近度 — 最近一次推送于 9 天前
11.8/36提交节奏 — 52 周中有 17 周有提交
12.2/18提交量 — 最近一年 22 次提交
5/10OpenSSF Scorecard:Maintained — 6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5
所用输入
commits_last_year22
human_commit_share0.63
days_since_last_push9
active_weeks_last_year17

发布纪律

70良好
评分方式
27/27有发布版本 — 已发布 17 个发布版本
16.2/36发布时效 — 最近一次发布版本于 341 天前
19.8/27发布节奏 — 约每 114.6 天发布一次
0/10OpenSSF Scorecard:Signed-Releases — 无数据
所用输入
releases_count17
latest_release_tagv0.1.16
releases_from_tags
days_since_latest_release341
mean_days_between_releases114.6
已排除计分(无数据或不适用):OpenSSF Scorecard:Signed-Releases。 其余权重已重新归一化。

社区与采用

项目是否拥有用户、下载量与关注度,并具备欢迎贡献者参与的配置?

41存在风险 · 占总体的 18%
评分方式
0/60星标 — 1 个星标
4/25复刻 — 4 个复刻
6.5/15关注者 — 16 位关注者
所用输入
forks4
stars1
watchers16
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history

社区健康

77良好
评分方式
22.5/22.5README
22.5/22.5许可证 — 可识别的许可证(MIT)
18/18CONTRIBUTING 指南
0/13.5行为准则
0/7.2议题模板
6.3/6.3PR 模板
所用输入
has_readme
has_license
has_contributing
has_issue_template
has_code_of_conduct
has_pull_request_template

可持续性与治理

项目能否在其成员之外延续——巴士系数、响应能力、由谁支持,以及软件包的维护状况?

57中等 · 占总体的 24%
评分方式
9/54巴士系数 — 1 位贡献者贡献了半数提交
1.2/22.5提交分布 — 头号贡献者编写了 95% 的提交
5.4/13.5贡献者广度 — 4 位贡献者
10/10OpenSSF Scorecard:Contributors — project has 8 contributing companies or organizations
所用输入
bus_factor1
contributors_sampled4
top_contributor_share0.946
评分方式
39.3/46.8议题解决 — 84% 的议题已关闭
32.9/38.3PR 接受 — 已裁定的 PR 中 111/129 已合并
1.5/15OpenSSF Scorecard:Code-Review — Found 2/11 approved changesets -- score normalized to 1
所用输入
merged_prs111
open_issues4
closed_issues21
issue_closed_ratio0.84
closed_unmerged_prs18
评分方式
30/30所有权背书 — 组织持有
0/20已验证域名
17.1/25所有者影响力 — openforcefield 有 237 位关注者
25/25既往记录 — 97 个公开仓库,账户约 10 年
所用输入
followers237
owner_typeOrganization
is_verified
owner_loginopenforcefield
public_repos97
account_age_days3,747
评分方式
25/25已发布且可解析 — pypi 上有 1 个软件包
35/35发布时效 — 最近一次发布于 147 天前
4/20版本历史 — 1 个已发布版本
0/20未被弃用 — openff-utilities:在注册表上已弃用/撤回
所用输入
packagesopenff-utilities
ecosystemspypi
any_deprecated
min_days_since_publish147

工程质量

基础的工程与文档实践是否到位?

79良好 · 占总体的 20%

工程实践

82良好
评分方式
24/24CI 工作流 — 2 个工作流
24/24存在测试
16/16Linter 配置
9.6/9.6Pre-commit 钩子
0/6.4.editorconfig
8/20OpenSSF Scorecard:CI-Tests — 14 out of 29 merged PRs checked by a CI test -- score normalized to 4
所用输入
has_ci
has_tests
has_editorconfig
has_linter_config
has_precommit_config

文档

75良好
评分方式
30/30README
25/25文档目录
0/15文档 / 主页站点
10/10仓库描述
0/10主题标签
10/10Wiki
所用输入
topics
has_wiki
homepage
has_readme
has_docs_dir
has_description

安全

可见的安全与供应链实践是否稳固,且不存在未解决的高风险司法辖区暴露?

51中等 · 占总体的 16%

安全态势

51中等
评分方式
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — 无数据
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
2.5/2.5许可证 — 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 — 无数据
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 — 无数据
0/7.5Token-Permissions — detected GitHub workflow tokens with excessive permissions
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
所用输入
sourceopenssf_scorecard
checks_evaluated15
scorecard_versionv5.5.0
checks_inconclusive3
scorecard_aggregate5.1
已排除计分(无数据或不适用):branch_protection, packaging, signed_releases。 其余权重已重新归一化。

AI 就绪度

该仓库在多大程度上具备与 AI 编码代理协同开发与维护的条件?这是一枚独立的实验性徽章——权重为 0.0,因此单独呈现,不影响总体健康评分。

59中等 · 占总体的 0%
评分方式
0/45代理指令 — 没有 CLAUDE.md / AGENTS.md / 编辑器规则
0/15机器可读文档(llms.txt)
33/40可读的提交历史 — 63 次人类提交中有 39 次说明了意图(结构化标题或解释性正文)
所用输入
has_llms_txt
legible_history_share0.619
agent_instruction_files
agent_instruction_max_bytes
评分方式
18/18一条命令的引导启动 — docs/Makefile
22/22自动化测试
11/11Lint / 格式化配置
11/11静态类型检查 — openff/utilities/py.typed
0/10可复现环境
0/10已体现的代理实践 — 最近 100 次提交中没有代理编写的提交
8/8自动化维护 — 最近 100 次提交中有 19 次为自动依赖更新
0/10OpenSSF Scorecard:Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
所用输入
has_nix
has_tests
lockfiles
has_dockerfile
typed_language
bootstrap_filesdocs/Makefile
has_devcontainer
has_linter_config
typecheck_configsopenff/utilities/py.typed
agent_commit_share0
toolchain_manifests
dependency_bot_commit_share0.19
评分方式
27/45可类型检查的代码 — Python,已配置类型检查(openff/utilities/py.typed)
55/55可控的文件大小 — 采样的 15 个源文件中有 0 个超过 60KB
所用输入
primary_languagePython
largest_source_bytes7,400
source_files_sampled15
oversized_source_files0

关键数据

1GitHub 星标
4贡献者
22最近 12 个月提交数
9距最近推送天数
17发布版本数
1巴士系数(bus factor)
4开放议题
PyPI软件包生态系统数

数据采集警告

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

更多细节

Star 与 Fork 历史 0 ★ / 4 ⇿
0Star
4Fork
3发布

每颗 star 和每个 fork 的添加时间,来自 GitHub 并按天汇总。累计增长位于其构成来源——每日新增——的正上方,二者可相互对照:稳定的自然增长与短暂的突增形态截然不同。当这一差别可被衡量时,它会作为增长真实性予以报告。

12233312024-092025-012025-05
主版本 0次版本 0修订 3
OpenSSF Scorecard 5.1 / 10
5.1综合

来自开源项目 OpenSSF Scorecard 的独立、工具无关的安全评估。每项检查奖励的是安全实践本身,而非特定供应商的工具。Scorecard 无法判定的检查项标记为 不适用,并从安全评分中剔除(绝不按零分计)。Scorecard v5.5.0 · 2026-07-23 13:09 UTC

10Binary-Artifactsno binaries found in the repo
不适用Branch-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
不适用Packagingpackaging 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
不适用Signed-Releasesno releases found
0Token-Permissionsdetected GitHub workflow tokens with excessive permissions
10Vulnerabilities0 existing vulnerabilities detected
全部依赖 2

来自 GitHub 依赖图的完整解析依赖集合:0 个直接依赖与 2 个间接(传递)软件包。仓库提交锁文件时,传递闭包才是完整的。

注册表软件包版本关系
PyPIsetuptools间接
PyPIsetuptools-scm间接
依赖安全公告 未评估

本报告未能完成公告比对:No resolved dependencies carried a version and a supported ecosystem

原始 JSON 报告 机器可读
{
  "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"
        },
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          "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,
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        {
          "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,
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        {
          "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",
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          "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,
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        {
          "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,
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        },
        {
          "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,
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                "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"
}

评分是信号,而非担保。 评分反映的是 GitHub 上公开可见的实践——不是代码审计,也不是安全保证。

缺失数据将被剔除并重新归一化权重,绝不按零分计。方法论已版本化并公开:指标 v1.13.0、模式 v0.27.0—— 完整方法论 · 指标知识库.

单项结果在整体记录中的位置: 汇总统计PyPI.