Öffentliches Register
Software-GesundheitsberichtSchema 0.27.0 · Metriken 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 Stern⑂ 4 Forksseit Apr. 2021Auf GitHub ansehen ↗

openforcefield/openff-utilities erreicht einen Gesundheitsindex von 59 von 100 und liegt damit im Bereich Mittel. Am stärksten schneidet es bei Engineering Quality (79/100) ab, am schwächsten bei Community & Adoption (41/100). Zuletzt vor 9 Tagen aktualisiert. Ein einzelner Mitwirkender trägt den Großteil der jüngsten Arbeit.

59
gesamt / 100
Mittel

Software-Gesundheitsindex

Metriken werden auf einer Skala von 1–100 in gewichtete Kategorien gruppiert. Der Gesamtwert beginnt als ihr Mittel; sobald öffentliche Evidenz die Richtlinie für Hochrisikojurisdiktionen auslöst, wird die Bewertung angepasst und erhält die Obergrenze 49 (Gefährdet). AI Readiness liegt außerhalb.

59
Exzellent85-100Vorbildlich; erfüllt im Wesentlichen alle geprüften Kriterien
Gut70-84Gesund; geringfügige Lücken
Mittel50-69Akzeptabel mit deutlichen Lücken; Überprüfung empfohlen
Gefährdet30-49Erhebliche Schwächen; eine Übernahme erfordert Vorsicht
Kritisch1-29Schwerwiegende Probleme (aufgegeben, nur ein Maintainer, keine Hygiene)
VitalitätCommunity &VerbreitungNachhaltigkeit &GovernanceEngineering-QualitätSicherheitAI Readiness

Bewertungsprofil

Jede Achse ist eine Kategorie. Die Form zählt mehr als der Durchschnitt — ein gesundes Projekt füllt die gesamte Fläche, während ein Profil aus Spitzen und Kratern bedeutet, dass Stärke in einer Dimension Risiken in einer anderen verdeckt.

Eigentümerschaft

237 Follower97 öffentliche Reposseit Apr. 2016

Dieses Repository wird von einer Organisation getragen — geteilte, rechenschaftspflichtige Trägerschaft, die jeden einzelnen Maintainer überdauern kann.

Paket-Ökosysteme

RegistryPaketVersionDownloads / MonatVersionenZuletzt veröffentlicht
PyPIopenff-utilities0.1.16-1vor 147 Tagen

Metriken nach Kategorie

Vitalität

Lebt das Projekt — wird Code geschrieben und werden Releases ausgeliefert?

63Mittel · 22 % des Gesamtindex
Wie die Bewertung erfolgt
28.8/36Push-Aktualität — letzter Push vor 9 Tagen
11.8/36Commit-Rhythmus — 17/52 Wochen mit Commits
12.2/18Commit-Volumen — 22 Commits im letzten Jahr
5/10OpenSSF Scorecard: Maintained — 6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5
Verwendete Eingangsdaten
commits_last_year22
human_commit_share0,63
days_since_last_push9
active_weeks_last_year17
Wie die Bewertung erfolgt
27/27Liefert Releases aus — 17 Releases veröffentlicht
16.2/36Release-Aktualität — letztes Release vor 341 Tagen
19.8/27Release-Rhythmus — ein Release etwa alle 114,6 Tage
0/10OpenSSF Scorecard: Signed-Releases — keine Daten
Verwendete Eingangsdaten
releases_count17
latest_release_tagv0.1.16
releases_from_tagsnein
days_since_latest_release341
mean_days_between_releases114,6
Von der Bewertung ausgeschlossen (keine Daten oder nicht anwendbar): OpenSSF Scorecard: Signed-Releases. Die verbleibenden Gewichte wurden renormalisiert.

Community & Verbreitung

Hat das Projekt Nutzer, Downloads, Aufmerksamkeit und ein einladendes Umfeld für Beitragende?

41Gefährdet · 18 % des Gesamtindex
Wie die Bewertung erfolgt
0/60Stars — 1 Stars
4/25Forks — 4 Forks
6.5/15Watcher — 16 Watcher
Verwendete Eingangsdaten
forks4
stars1
watchers16
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history
Wie die Bewertung erfolgt
22.5/22.5README
22.5/22.5Lizenz — anerkannte Lizenz (MIT)
18/18CONTRIBUTING-Leitfaden
0/13.5Verhaltenskodex
0/7.2Issue-Vorlage
6.3/6.3PR-Vorlage
Verwendete Eingangsdaten
has_readmeja
has_licenseja
has_contributingja
has_issue_templatenein
has_code_of_conductnein
has_pull_request_templateja

Nachhaltigkeit & Governance

Überdauert das Projekt die Menschen, die es tragen — Bus-Faktor, Reaktionsfähigkeit, Trägerschaft und Paketpflege?

57Mittel · 24 % des Gesamtindex
Wie die Bewertung erfolgt
9/54Bus-Faktor — 1 Beitragende decken die Hälfte aller Commits ab
1.2/22.5Commit-Verteilung — wichtigste beitragende Person verfasste 95 % der Commits
5.4/13.5Breite der Beitragenden — 4 Beitragende
10/10OpenSSF Scorecard: Contributors — project has 8 contributing companies or organizations
Verwendete Eingangsdaten
bus_factor1
contributors_sampled4
top_contributor_share0,946
Wie die Bewertung erfolgt
39.3/46.8Issue-Lösungsquote — 84 % der Issues geschlossen
32.9/38.3PR-Annahme — 111/129 entschiedene PRs gemergt
1.5/15OpenSSF Scorecard: Code-Review — Found 2/11 approved changesets -- score normalized to 1
Verwendete Eingangsdaten
merged_prs111
open_issues4
closed_issues21
issue_closed_ratio0,84
closed_unmerged_prs18
Wie die Bewertung erfolgt
30/30Organisatorische Trägerschaft — im Besitz einer Organisation
0/20Verifizierte Domain
17.1/25Reichweite des Inhabers — 237 Follower von openforcefield
25/25Kontohistorie — 97 öffentliche Repos, Kontoalter ca. 10 Jahre
Verwendete Eingangsdaten
followers237
owner_typeOrganization
is_verified
owner_loginopenforcefield
public_repos97
account_age_days3.747

Paketpflege

64Mittel
Wie die Bewertung erfolgt
25/25Veröffentlicht & auflösbar — 1 Paket(e) auf pypi
35/35Veröffentlichungsaktualität — letzte Veröffentlichung vor 147 Tagen
4/20Versionshistorie — 1 veröffentlichte Versionen
0/20Nicht veraltet — openff-utilities: in der Registry als veraltet/zurückgezogen markiert
Verwendete Eingangsdaten
packagesopenff-utilities
ecosystemspypi
any_deprecatedja
min_days_since_publish147

Engineering-Qualität

Sind grundlegende Engineering- und Dokumentationspraktiken vorhanden?

79Gut · 20 % des Gesamtindex
Wie die Bewertung erfolgt
24/24CI-Workflows — 2 Workflow(s)
24/24Tests vorhanden
16/16Linter-Konfiguration
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
Verwendete Eingangsdaten
has_cija
has_testsja
has_editorconfignein
has_linter_configja
has_precommit_configja
Wie die Bewertung erfolgt
30/30README
25/25Dokumentationsverzeichnis
0/15Dokumentations-/Homepage-Site
10/10Repository-Beschreibung
0/10Topics
10/10Wiki
Verwendete Eingangsdaten
topics
has_wikija
homepage
has_readmeja
has_docs_dirja
has_descriptionja

Sicherheit

Sind die sichtbaren Sicherheits- und Lieferkettenpraktiken belastbar, ohne ungeklärte Exposition gegenüber Hochrisikojurisdiktionen?

51Mittel · 16 % des Gesamtindex
Wie die Bewertung erfolgt
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — keine Daten
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
2.5/2.5Lizenz — 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 — keine Daten
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 — keine Daten
0/7.5Token-Permissions — detected GitHub workflow tokens with excessive permissions
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
Verwendete Eingangsdaten
sourceopenssf_scorecard
checks_evaluated15
scorecard_versionv5.5.0
checks_inconclusive3
scorecard_aggregate5,1
Von der Bewertung ausgeschlossen (keine Daten oder nicht anwendbar): branch_protection, packaging, signed_releases. Die verbleibenden Gewichte wurden renormalisiert.

AI Readiness

Wie gut ist das Repository dafür ausgestattet, mit KI-Coding-Agenten entwickelt und gepflegt zu werden? Ein unabhängiges, experimentelles Badge — Gewicht 0,0, es wird eigenständig ausgewiesen und verändert den Gesamt-Gesundheitswert nicht.

59Mittel · 0 % des Gesamtindex
Wie die Bewertung erfolgt
0/45Agentenanweisungen — keine CLAUDE.md / AGENTS.md / Editor-Regeln
0/15Maschinenlesbare Doku (llms.txt)
33/40Lesbare Commit-Historie — 39 von 63 menschlichen Commits benennen ihre Absicht (strukturierter Betreff oder erläuternder Text)
Verwendete Eingangsdaten
has_llms_txtnein
legible_history_share0,619
agent_instruction_files
agent_instruction_max_bytes
Wie die Bewertung erfolgt
18/18Bootstrap mit einem Befehl — docs/Makefile
22/22Automatisierte Tests
11/11Lint-/Format-Konfiguration
11/11Statische Typprüfung — openff/utilities/py.typed
0/10Reproduzierbare Umgebung
0/10Belegte Agentenpraxis — keine von Agenten verfassten Commits unter den letzten 100
8/8Automatisierte Wartung — 19 der letzten 100 Commits sind automatisierte Abhängigkeits-Updates
0/10OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
Verwendete Eingangsdaten
has_nixnein
has_testsja
lockfiles
has_dockerfilenein
typed_languagenein
bootstrap_filesdocs/Makefile
has_devcontainernein
has_linter_configja
typecheck_configsopenff/utilities/py.typed
agent_commit_share0
toolchain_manifests
dependency_bot_commit_share0,19
Wie die Bewertung erfolgt
27/45Typprüfbarer Code — Python mit Typprüfungs-Konfiguration (openff/utilities/py.typed)
55/55Handhabbare Dateigrößen — 0/15 Quelldateien über 60 KB
Verwendete Eingangsdaten
primary_languagePython
largest_source_bytes7.400
source_files_sampled15
oversized_source_files0

Eckdaten

1GitHub-Sterne
4Mitwirkende
22Commits, letzte 12 Monate
9Tage seit letztem Push
17Releases
1Bus-Faktor
4offene Issues
PyPIPaket-Ökosysteme

Warnungen zur Datenerhebung

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

Weitere Details

Stern- und Fork-Verlauf 0 ★ / 4 ⇿
0Sterne
4Forks
3Releases

Wann jeder Stern und Fork hinzugefügt wurde, von GitHub erfasst und nach Tagen gruppiert. Das kumulierte Wachstum steht direkt über den täglichen Zugängen, aus denen es besteht, sodass beide gegeneinander lesbar sind: stetiger organischer Zuwachs sieht ganz anders aus als ein abrupter, kurzlebiger Ausschlag. Wo dieser Unterschied messbar ist, wird er als Wachstumsauthentizität ausgewiesen.

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

Unabhängige, werkzeugneutrale Sicherheitsbewertung durch das quelloffene OpenSSF Scorecard. Jede Prüfung honoriert eine Sicherheits-Praxis, nicht das Werkzeug eines bestimmten Anbieters. Prüfungen, die Scorecard nicht ermitteln konnte, sind mit k. A. markiert und vom Sicherheitswert ausgeschlossen (nie als null gezählt).Scorecard v5.5.0 · 2026-07-23 13:09 UTC

10Binary-Artifactsno binaries found in the repo
k. A.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
k. A.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
k. A.Signed-Releasesno releases found
0Token-Permissionsdetected GitHub workflow tokens with excessive permissions
10Vulnerabilities0 existing vulnerabilities detected
Alle Abhängigkeiten 2

Vollständig aufgelöster Abhängigkeitssatz aus dem GitHub-Abhängigkeitsgraphen: 0 direkte und 2 indirekte (transitive) Pakete. Die transitive Hülle ist vollständig, wenn das Repository eine Lockfile eincheckt.

RegistryPaketVersionBeziehung
PyPIsetuptoolsindirekt
PyPIsetuptools-scmindirekt
Abhängigkeits-Advisories nicht bewertet

Der Advisory-Abgleich konnte für diesen Bericht nicht ausgeführt werden: No resolved dependencies carried a version and a supported ecosystem

JSON-Rohbericht maschinenlesbar
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          "oid": "ef92f3e661e4dcb1d7b8be80ec12352c0ff349b6",
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          "headline": "Build(deps): Bump prefix-dev/setup-pixi from 0.9.5 to 0.10.0 (#154)",
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          "is_bot": true,
          "headline": "[pre-commit.ci] pre-commit autoupdate (#155)",
          "author_name": "pre-commit-ci[bot]",
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        {
          "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>",
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          "headline": "Build(deps): Bump codecov/codecov-action from 6 to 7 (#152)",
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          "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>",
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          "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",
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          "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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          "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",
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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",
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          "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
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        {
          "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,
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        {
          "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
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        {
          "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",
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        {
          "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
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        {
          "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,
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        },
        {
          "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",
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          "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,
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        },
        {
          "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",
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                "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"
}

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Fehlende Daten werden ausgeschlossen und die Gewichte neu normiert, nie als null bewertet. Die Methodik ist versioniert und offen: Metriken v1.13.0, Schema v0.27.0 — vollständige Methodik · Metriken-Wiki.

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