Registro público
Informe de salud del softwareesquema 0.27.0 · métricas 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 estrella⑂ 4 forksdesde abr 2021Ver en GitHub ↗

openforcefield/openff-utilities tiene un índice de salud de 59 sobre 100, lo que lo sitúa en la banda Moderado. Su puntuación más alta es Engineering Quality (79/100) y la más baja, Community & Adoption (41/100). Se actualizó por última vez hace 9 días. Una sola persona concentra la mayor parte del trabajo reciente.

59
global / 100
Moderado

Índice de salud del software

Las métricas se agrupan en categorías ponderadas sobre una escala de 1 a 100. El resultado global parte de su media; cuando la evidencia pública activa la Política de Jurisdicciones de Alto Riesgo, la calificación se ajusta y recibe el límite 49 (En riesgo). Preparación para IA queda fuera.

59
Excelente85-100Ejemplar; cumple prácticamente todos los criterios evaluados
Bueno70-84Saludable; carencias menores
Moderado50-69Aceptable con carencias notables; se recomienda revisión
En riesgo30-49Debilidades significativas; su adopción exige cautela
Crítico1-29Problemas graves (proyecto abandonado, un solo mantenedor, sin higiene)
VitalidadComunidad yAdopciónSostenibilidady GobernanzaCalidad deIngenieríaSeguridadPreparaciónpara IA

Perfil de puntuación

Cada eje es una categoría. La forma importa más que la media: un proyecto sano llena toda la figura, mientras que un perfil de picos y cráteres indica que la fortaleza en una dimensión enmascara el riesgo en otra.

Titularidad

237 seguidores97 repositorios públicosdesde abr 2016

Este repositorio está respaldado por una organización: una custodia compartida y responsable que puede sobrevivir a cualquier mantenedor individual.

Ecosistemas de paquetes

RegistroPaqueteVersiónDescargas / mesVersionesÚltima publicación
PyPIopenff-utilities0.1.16-1hace 147 días

Métricas por categoría

Vitalidad

¿Está vivo el proyecto: se escribe código y se publican versiones?

63Moderado · 22% del índice global
Cómo se puntúa
28.8/36Recencia de push — último push hace 9 días
11.8/36Cadencia de commits — 17/52 semanas con commits
12.2/18Volumen de commits — 22 commits en el último año
5/10OpenSSF Scorecard: Maintained — 6 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 5
Datos de entrada utilizados
commits_last_year22
human_commit_share0,63
days_since_last_push9
active_weeks_last_year17
Cómo se puntúa
27/27Publica versiones — 17 versiones publicadas
16.2/36Recencia de las versiones — última versión hace 341 días
19.8/27Cadencia de publicación — una versión cada ~114,6 días
0/10OpenSSF Scorecard: Signed-Releases — sin datos
Datos de entrada utilizados
releases_count17
latest_release_tagv0.1.16
releases_from_tagsno
days_since_latest_release341
mean_days_between_releases114,6
Excluidos de la puntuación (sin datos o no aplicable): OpenSSF Scorecard: Signed-Releases. Los pesos restantes se han renormalizado.

Comunidad y Adopción

¿Tiene el proyecto usuarios, descargas, atención y unas condiciones acogedoras para quienes contribuyen?

41En riesgo · 18% del índice global
Cómo se puntúa
0/60Estrellas — 1 estrellas
4/25Forks — 4 forks
6.5/15Observadores — 16 observadores
Datos de entrada utilizados
forks4
stars1
watchers16
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history
Cómo se puntúa
22.5/22.5README
22.5/22.5Licencia — licencia reconocida (MIT)
18/18Guía CONTRIBUTING
0/13.5Código de conducta
0/7.2Plantilla de issues
6.3/6.3Plantilla de PR
Datos de entrada utilizados
has_readme
has_license
has_contributing
has_issue_templateno
has_code_of_conductno
has_pull_request_template

Sostenibilidad y Gobernanza

¿Sobrevivirá el proyecto a sus personas: factor bus, capacidad de respuesta, quién lo respalda y mantenimiento del paquete?

57Moderado · 24% del índice global
Cómo se puntúa
9/54Factor bus — la mitad de los commits recae en 1 contribuyente(s)
1.2/22.5Distribución de commits — el principal contribuyente firma el 95% de los commits
5.4/13.5Amplitud de contribuyentes — 4 contribuyentes
10/10OpenSSF Scorecard: Contributors — project has 8 contributing companies or organizations
Datos de entrada utilizados
bus_factor1
contributors_sampled4
top_contributor_share0,946
Cómo se puntúa
39.3/46.8Resolución de issues — 84% de issues cerradas
32.9/38.3Aceptación de PR — 111/129 PR decididos fusionados
1.5/15OpenSSF Scorecard: Code-Review — Found 2/11 approved changesets -- score normalized to 1
Datos de entrada utilizados
merged_prs111
open_issues4
closed_issues21
issue_closed_ratio0,84
closed_unmerged_prs18
Cómo se puntúa
30/30Respaldo de la propiedad — propiedad de una organización
0/20Dominio verificado
17.1/25Alcance del propietario — 237 seguidores de openforcefield
25/25Trayectoria — 97 repos públicos, cuenta de ~10 años
Datos de entrada utilizados
followers237
owner_typeOrganization
is_verified
owner_loginopenforcefield
public_repos97
account_age_days3747
Cómo se puntúa
25/25Publicado y resoluble — 1 paquete(s) en pypi
35/35Recencia de publicación — última publicación hace 147 días
4/20Historial de versiones — 1 versiones en el registro
0/20No obsoleto — openff-utilities: obsoleto o retirado en el registro
Datos de entrada utilizados
packagesopenff-utilities
ecosystemspypi
any_deprecated
min_days_since_publish147

Calidad de Ingeniería

¿Existen unas prácticas mínimas de ingeniería y documentación?

79Bueno · 20% del índice global
Cómo se puntúa
24/24Flujos de trabajo de CI — 2 flujo(s) de trabajo
24/24Pruebas presentes
16/16Configuración de linter
9.6/9.6Hooks de pre-commit
0/6.4.editorconfig
8/20OpenSSF Scorecard: CI-Tests — 14 out of 29 merged PRs checked by a CI test -- score normalized to 4
Datos de entrada utilizados
has_ci
has_tests
has_editorconfigno
has_linter_config
has_precommit_config
Cómo se puntúa
30/30README
25/25Directorio de documentación
0/15Sitio de documentación / página del proyecto
10/10Descripción del repositorio
0/10Topics
10/10Wiki
Datos de entrada utilizados
topics
has_wiki
homepage
has_readme
has_docs_dir
has_description

Seguridad

¿Son sólidas las prácticas visibles de seguridad y de cadena de suministro, sin exposición jurisdiccional de alto riesgo sin resolver?

51Moderado · 16% del índice global
Cómo se puntúa
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — sin datos
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
2.5/2.5Licencia — 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 — sin datos
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 — sin datos
0/7.5Token-Permissions — detected GitHub workflow tokens with excessive permissions
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
Datos de entrada utilizados
sourceopenssf_scorecard
checks_evaluated15
scorecard_versionv5.5.0
checks_inconclusive3
scorecard_aggregate5,1
Excluidos de la puntuación (sin datos o no aplicable): branch_protection, packaging, signed_releases. Los pesos restantes se han renormalizado.

Preparación para IA

¿Hasta qué punto está el repositorio preparado para desarrollarse y mantenerse con agentes de codificación de IA? Es una insignia independiente y experimental — peso 0,0, de modo que se presenta por separado y no afecta a la puntuación de salud global.

59Moderado · 0% del índice global
Cómo se puntúa
0/45Instrucciones para agentes — sin CLAUDE.md / AGENTS.md / reglas de editor
0/15Documentación legible por máquinas (llms.txt)
33/40Historial de commits legible — 39 de 63 commits humanos declaran su intención (asunto estructurado o cuerpo explicativo)
Datos de entrada utilizados
has_llms_txtno
legible_history_share0,619
agent_instruction_files
agent_instruction_max_bytes
Cómo se puntúa
18/18Arranque con un solo comando — docs/Makefile
22/22Pruebas automatizadas
11/11Configuración de lint / formato
11/11Verificación estática de tipos — openff/utilities/py.typed
0/10Entorno reproducible
0/10Práctica demostrada con agentes — ningún commit con autoría de agente entre los últimos 100
8/8Mantenimiento automatizado — 19 de los últimos 100 commits son actualizaciones automáticas de dependencias
0/10OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
Datos de entrada utilizados
has_nixno
has_tests
lockfiles
has_dockerfileno
typed_languageno
bootstrap_filesdocs/Makefile
has_devcontainerno
has_linter_config
typecheck_configsopenff/utilities/py.typed
agent_commit_share0
toolchain_manifests
dependency_bot_commit_share0,19
Cómo se puntúa
27/45Código verificable por tipos — Python con configuración de verificación de tipos (openff/utilities/py.typed)
55/55Tamaños de archivo manejables — 0/15 archivos fuente de más de 60 KB
Datos de entrada utilizados
primary_languagePython
largest_source_bytes7400
source_files_sampled15
oversized_source_files0

Datos clave

1estrellas de GitHub
4contribuidores
22commits en los últimos 12 meses
9días desde el último push
17versiones publicadas
1factor bus
4issues abiertas
PyPIecosistemas de paquetes

Advertencias de recopilación de datos

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

Más detalle

Historial de estrellas y forks 0 ★ / 4 ⇿
0Estrellas
4Forks
3Versiones

Cuándo se añadió cada estrella y fork, recopilado de GitHub y agrupado por día. El crecimiento acumulado se sitúa justo encima de las adiciones diarias que lo componen, de modo que ambos se leen en conjunto: la acumulación orgánica sostenida no se parece en nada a un pico abrupto y efímero. Cuando esa diferencia es medible, se informa como autenticidad del crecimiento.

12233312024-092025-012025-05
Mayor 0Menor 0Parche 3
OpenSSF Scorecard 5.1 / 10
5.1agregado

Evaluación de seguridad independiente y agnóstica en cuanto a herramientas, procedente del proyecto de código abierto OpenSSF Scorecard. Cada comprobación premia una práctica de seguridad, no la herramienta de un proveedor concreto. Las comprobaciones que Scorecard no pudo determinar se marcan como n/d y se excluyen de la puntuación de seguridad (nunca se cuentan como cero).Scorecard v5.5.0 · 2026-07-23 13:09 UTC

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

Conjunto completo de dependencias resueltas según el grafo de dependencias de GitHub: 0 paquetes directos y 2 indirectos (transitivos). El cierre transitivo es completo cuando el repositorio incluye un lockfile.

RegistroPaqueteVersiónRelación
PyPIsetuptoolsindirecta
PyPIsetuptools-scmindirecta
Avisos de dependencias sin evaluar

El cotejo de avisos no pudo ejecutarse para este informe: No resolved dependencies carried a version and a supported ecosystem

Informe JSON sin procesar legible por máquina
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          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2026-04-01T02:31:51Z",
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        },
        {
          "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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          "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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          "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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          "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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        {
          "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,
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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",
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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,
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        {
          "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
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        {
          "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,
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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,
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        {
          "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",
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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",
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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",
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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,
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        },
        {
          "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",
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        },
        {
          "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",
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          "is_coding_agent": false
        },
        {
          "oid": "7dbc0f178e3919929eabd4ae6c0c126c4616d245",
          "body": "…/prefix-dev/setup-pixi-0.8.3",
          "is_bot": true,
          "headline": "Merge pull request #106 from openforcefield/dependabot/github_actions…",
          "author_name": "dependabot[bot]",
          "author_login": "dependabot[bot]",
          "committed_at": "2025-02-28T15:12:19Z",
          "body_truncated": false,
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        {
          "oid": "1c443627749dc1a9f59c159cdc589d998df7c373",
          "body": null,
          "is_bot": false,
          "headline": "MAINT: Consistently use code coverage in tests",
          "author_name": "Matthew W. Thompson",
          "author_login": "mattwthompson",
          "committed_at": "2025-02-28T15:04:37Z",
          "body_truncated": false,
          "is_coding_agent": false
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                "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": {
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                      "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"
}

Las puntuaciones son señales, no garantías. Reflejan prácticas públicamente visibles en GitHub; no son una auditoría de código ni una garantía de seguridad.

Los datos ausentes se excluyen y los pesos se renormalizan; nunca se puntúan como cero. La metodología es versionada y abierta: métricas v1.13.0, esquema v0.27.0 — metodología completa · wiki de métricas.

Cómo se sitúa un resultado dentro del registro general: estadísticas agregadasPyPI.