公开记录
软件健康报告模式 0.30.0 · 指标 2.3.1 · 2026-08-04 02:23 UTC

MolSSI / QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

PythonBSD-3-Clause★ 196 星标⑂ 78 复刻始于 2018年8月在 GitHub 上查看 ↗
类型如何判定

MolSSI/QCElemental 的健康指数为 100 分中的 88 分,处于「优秀」区间。 其得分最高的类别是Engineering Quality(92/100),最低的是AI Readiness(41/100)。 最近一次更新在今天。 近期的大部分工作由 2 位贡献者完成。

88
总分 / 100
优秀

软件健康指数

指标归入加权类别,统一采用 1–100 量表。总体分先取类别加权平均,再依据公开记录的分布进行校准,使各等级具有百分位含义;当公开证据触发高风险司法辖区政策时,评级会按政策调整,并设置 34(存在风险)的上限。

88
卓越93-100公开记录中的最高层级(约前 5%);基本满足所有检验标准
优秀80-92各方面均表现强劲;仅有少量不足
良好65-79健康;不足之处有限且可控
中等50-64可接受,但存在明显不足;建议进行审查
薄弱35-49多个领域存在实质性薄弱环节
存在风险20-34存在重大薄弱环节;采用时应保持审慎
危急1-19问题严重(项目被弃置、仅有单一维护者、缺乏基本工程规范)
活力社区与采用可持续性与治理工程质量安全AI 就绪度

评分画像

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

加权总体分 74 经校准后在公布的指数量表上为 88(记录校准 2026-08-02)。

所有权

149 关注者59 个公开仓库始于 2017年3月

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

软件包生态系统

注册表软件包版本月下载量版本数最近发布
PyPIqcelemental0.50.4-5941 天前

按类别列示的指标

活力

项目是否仍有生命——是否仍在编写代码,是否仍在发布版本?

83优秀 · 占总体的 21%
评分方式
36/36推送新近度 — 最近一次推送于 0 天前
11.8/36提交节奏 — 52 周中有 17 周有提交
13.1/18提交量 — 最近一年 28 次提交
10/10OpenSSF Scorecard:Maintained — 30 commit(s) and 1 issue activity found in the last 90 days -- score normalized to 10
所用输入
commits_last_year28
human_commit_share0.99
days_since_last_push0
active_weeks_last_year17

发布纪律

100卓越
评分方式
27/27有发布版本 — 已发布 61 个发布版本
36/36发布时效 — 最近一次发布版本于 41 天前
27/27发布节奏 — 约每 14.7 天发布一次
0/10OpenSSF Scorecard:Signed-Releases — 无数据
所用输入
releases_count61
latest_release_tagv0.50.4
releases_from_tags
days_since_latest_release41
mean_days_between_releases14.7
已排除计分(无数据或不适用):OpenSSF Scorecard:Signed-Releases。 其余权重已重新归一化。

社区与采用

项目是否拥有用户、下载量与关注度,并具备欢迎贡献者参与的配置?

66良好 · 占总体的 17%
评分方式
37.1/60星标 — 196 个星标
15.7/25复刻 — 78 个复刻
4.3/15关注者 — 7 位关注者
所用输入
forks78
stars196
watchers7
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history

社区健康

77良好
评分方式
22.5/22.5README
22.5/22.5许可证 — 可识别的许可证(BSD-3-Clause)
18/18CONTRIBUTING 指南
0/13.5行为准则
0/7.2议题模板
6.3/6.3PR 模板
所用输入
has_readme
has_license
readme_badges5
has_contributing
has_issue_template
has_code_of_conduct
readme_badge_servicesshields.io
has_pull_request_template

可持续性与治理

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

72良好 · 占总体的 23%
评分方式
25.2/54巴士系数 — 2 位贡献者贡献了半数提交
13.3/22.5提交分布 — 头号贡献者编写了 41% 的提交
13.5/13.5贡献者广度 — 33 位贡献者
10/10OpenSSF Scorecard:Contributors — project has 16 contributing companies or organizations
所用输入
bus_factor2
contributors_sampled33
top_contributor_share0.408
评分方式
24/42议题解决 — 57% 的议题已关闭
28.2/30PR 接受 — 已裁定的 PR 中 281/299 已合并
0/13Newcomer PR acceptance — 30 天内没有首次贡献者的 PR 得到裁决
1.5/15OpenSSF Scorecard:Code-Review — Found 4/30 approved changesets -- score normalized to 1
所用输入
merged_prs281
open_issues39
closed_issues52
prs_merged_7d2
prs_decided_7d2
prs_merged_30d2
prs_decided_30d2
issue_closed_ratio0.571
closed_unmerged_prs18
first_time_authors_30d0
first_time_prs_merged_30d0
first_time_prs_decided_30d0
已排除计分(无数据或不适用):newcomer_pr_acceptance。 其余权重已重新归一化。
评分方式
30/30所有权背书 — 组织持有
0/20已验证域名
15.6/25所有者影响力 — MolSSI 有 149 位关注者
24.9/25既往记录 — 59 个公开仓库,账户约 9 年
所用输入
followers149
owner_typeOrganization
is_verified
owner_loginMolSSI
public_repos59
account_age_days3,437
评分方式
25/25已发布且可解析 — pypi 上有 1 个软件包
35/35发布时效 — 最近一次发布于 41 天前
20/20版本历史 — 59 个已发布版本
20/20未被弃用 — 活跃,未被弃用或撤回
所用输入
packagesqcelemental
ecosystemspypi
any_deprecated
min_days_since_publish41

工程质量

基础的工程与文档实践是否到位?

92优秀 · 占总体的 19%

工程实践

94卓越
评分方式
24/24CI 工作流 — 4 个工作流
24/24存在测试
16/16Linter 配置
9.6/9.6Pre-commit 钩子
0/6.4.editorconfig
20/20OpenSSF Scorecard:CI-Tests — 7 out of 7 merged PRs checked by a CI test -- score normalized to 10
所用输入
has_ci
has_tests
has_editorconfig
has_linter_config
has_precommit_config

文档

90优秀
评分方式
30/30README
25/25文档目录
15/15文档 / 主页站点 — https://molssi.github.io/QCElemental/
10/10仓库描述
10/10主题标签 — 9 个主题标签
0/10Wiki
所用输入
topicspython, chemistry, physical-constant, periodic-table, standards, nist, codata, computational-chemistry, quantum-chemistry
has_wiki
homepagehttps://molssi.github.io/QCElemental/
has_readme
has_docs_dir
has_description

安全

可见的安全与供应链实践是否稳固,且不存在未解决的高风险司法辖区暴露?

63中等 · 占总体的 16%

安全态势

54中等
评分方式
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — 无数据
2.5/2.5CI-Tests — 7 out of 7 merged PRs checked by a CI test -- score normalized to 10
0/2.5CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected
0.8/7.5Code-Review — Found 4/30 approved changesets -- score normalized to 1
2.5/2.5Contributors — project has 16 contributing companies or organizations
10/10Dangerous-Workflow — no dangerous workflow patterns detected
0/7.5Dependency-Update-Tool — no update tool detected
0/5Fuzzing — project is not fuzzed
2.5/2.5许可证 — license file detected
7.5/7.5Maintained — 30 commit(s) and 1 issue activity found in the last 90 days -- score normalized to 10
0/5Packaging — 无数据
0/5Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
5/5SAST — SAST tool is run on all commits
0/5Security-Policy — security policy file not detected
0/7.5Signed-Releases — 无数据
0/7.5Token-Permissions — detected GitHub workflow tokens with excessive permissions
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
所用输入
sourceopenssf_scorecard
checks_evaluated15
scorecard_versionv5.5.0
checks_inconclusive3
scorecard_aggregate5.4
已排除计分(无数据或不适用):branch_protection, packaging, signed_releases。 其余权重已重新归一化。
评分方式
35/35直接依赖不含已知公告 — 没有直接依赖携带已知公告
25/25间接依赖不含已知公告 — 没有间接依赖携带已知公告
0/40没有长期未处理的公告 — 没有公告带有发布日期
所用输入
sourceosv
advisories0
affected_packages0
assessed_packages10
unassessed_packages0
affected_by_severitynone
direct_affected_packages0
已排除计分(无数据或不适用):没有长期未处理的公告。 其余权重已重新归一化。 比对的是 pypi:qcelemental@0.50.4 的运行时依赖闭包——安装已发布的软件包时真正被拉取进来的内容——共 10 个软件包。 未对可达性进行分析。

AI 就绪度

该仓库在多大程度上具备与 AI 编码代理协同开发与维护的条件?权重刻意设小(4%):代理工具链是一项真实的维护信号,但完全不具备的仓库仍可达到 100/100。

41薄弱 · 占总体的 4%
评分方式
0/45代理指令 — 没有 CLAUDE.md / AGENTS.md / 编辑器规则
0/15机器可读文档(llms.txt)
40/40可读的提交历史 — 99 次人类提交中有 75 次说明了意图(结构化标题或解释性正文)
所用输入
has_llms_txt
legible_history_share0.758
agent_instruction_files
agent_instruction_max_bytes
评分方式
0/18一条命令的引导启动
22/22自动化测试
11/11Lint / 格式化配置
0/11静态类型检查
0/10可复现环境
4/10已体现的代理实践 — 最近 100 次提交中有 2 次由代理编写或署名代理
0/8自动化维护 — 未观察到自动依赖更新
0/10OpenSSF Scorecard:Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
所用输入
has_nix
has_tests
lockfiles
has_dockerfile
typed_language
bootstrap_files
has_devcontainer
has_linter_config
typecheck_configs
agent_commit_share0.02
toolchain_manifests
dependency_bot_commit_share0
评分方式
0/45可类型检查的代码 — Python,未配置类型检查
51.3/55可控的文件大小 — 采样的 118 个源文件中有 8 个超过 60KB
所用输入
primary_languagePython
largest_source_bytes117,798
source_files_sampled118
oversized_source_files8

关键数据

196GitHub 星标
33贡献者
28最近 12 个月提交数
0距最近推送天数
61发布版本数
2巴士系数(bus factor)
39开放议题
PyPI软件包生态系统数

数据采集警告

  • Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token

更多细节

Star 与 Fork 历史 0 ★ / 78 ⇿
0Star
78Fork
58发布

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

0204060807772018-112022-092026-07
主版本 0次版本 30修订 23

每个点涵盖 8 天。

OpenSSF Scorecard 5.4 / 10
5.4综合

来自开源项目 OpenSSF Scorecard 的独立、工具无关的安全评估。每项检查奖励的是安全实践本身,而非特定供应商的工具。Scorecard 无法判定的检查项标记为 不适用,并从安全评分中剔除(绝不按零分计)。Scorecard v5.5.0 · 2026-08-04 02:22 UTC

10Binary-Artifactsno binaries found in the repo
不适用Branch-Protectioninternal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md
10CI-Tests7 out of 7 merged PRs checked by a CI test -- score normalized to 10
0CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
1Code-ReviewFound 4/30 approved changesets -- score normalized to 1
10Contributorsproject has 16 contributing companies or organizations
10Dangerous-Workflowno dangerous workflow patterns detected
0Dependency-Update-Toolno update tool detected
0Fuzzingproject is not fuzzed
10Licenselicense file detected
10Maintained30 commit(s) and 1 issue activity found in the last 90 days -- score normalized to 10
不适用Packagingpackaging workflow not detected
0Pinned-Dependenciesdependency not pinned by hash detected -- score normalized to 0
10SASTSAST tool is run on all commits
0Security-Policysecurity policy file not detected
不适用Signed-Releasesno releases found
0Token-Permissionsdetected GitHub workflow tokens with excessive permissions
10Vulnerabilities0 existing vulnerabilities detected
直接依赖 5
注册表软件包版本约束清单文件
PyPInumpypyproject.toml
PyPInumpy>=2.3.3pyproject.toml
PyPIpint>=0.24pyproject.toml
PyPIpydantic>=2.11pyproject.toml
PyPIpydantic>=2.12pyproject.toml
全部依赖 11

来自 GitHub 依赖图的完整解析依赖集合:3 个直接依赖与 8 个间接(传递)软件包。仓库提交锁文件时,传递闭包才是完整的。

注册表软件包版本关系
PyPInumpy直接
PyPIpint直接
PyPIpydantic直接
PyPIautodoc-pydantic间接
PyPIblack间接
PyPIipykernel间接
PyPIisort间接
PyPInetworkx间接
PyPIsetuptools间接
PyPIsetuptools-scm间接
PyPIsphinx间接
依赖安全公告 0

安装 pypi:qcelemental@0.50.4 会引入 10 个包(直接与传递):其中 0 个存在已知公告,0 个为直接依赖。

没有已知公告影响已评估的依赖。

公告表示依赖图中记录的版本落入某条公告的受影响范围。可达性未经分析,且依赖图包含开发与测试的版本固定——某项发现可能只涉及工具链而非交付的软件。

原始 JSON 报告 机器可读
{
  "data": {
    "repo": {
      "topics": [
        "python",
        "chemistry",
        "physical-constant",
        "periodic-table",
        "standards",
        "nist",
        "codata",
        "computational-chemistry",
        "quantum-chemistry"
      ],
      "is_fork": false,
      "size_kb": 93231,
      "has_wiki": false,
      "homepage": "https://molssi.github.io/QCElemental/",
      "languages": {
        "Shell": 258,
        "Python": 1450098
      },
      "pushed_at": "2026-08-03T07:38:45Z",
      "created_at": "2018-08-31T17:37:37Z",
      "owner_type": "Organization",
      "updated_at": "2026-08-03T07:33:46Z",
      "description": "Periodic table, physical constants, and molecule parsing for quantum chemistry.",
      "is_archived": false,
      "is_disabled": false,
      "license_spdx": "BSD-3-Clause",
      "default_branch": "master",
      "license_spdx_raw": "BSD-3-Clause",
      "primary_language": "Python",
      "significant_languages": [
        "Python"
      ]
    },
    "owner": {
      "blog": "http://molssi.org",
      "name": "The Molecular Science Software Institute",
      "type": "Organization",
      "login": "MolSSI",
      "company": null,
      "location": null,
      "followers": 149,
      "avatar_url": "https://avatars.githubusercontent.com/u/26232579?v=4",
      "created_at": "2017-03-06T19:54:52Z",
      "is_verified": null,
      "public_repos": 59,
      "account_age_days": 3437
    },
    "license": {
      "state": "standard",
      "spdx_id": "BSD-3-Clause",
      "raw_spdx": "BSD-3-Clause",
      "file_present": true,
      "scorecard_found": true,
      "profile_has_license": true
    },
    "activity": {
      "releases": [
        {
          "tag": "v0.50.4",
          "kind": "patch",
          "published_at": "2026-06-23T08:34:13Z"
        },
        {
          "tag": "v0.50.3",
          "kind": "patch",
          "published_at": "2026-06-22T21:57:21Z"
        },
        {
          "tag": "v0.50.2",
          "kind": "patch",
          "published_at": "2026-05-28T18:35:48Z"
        },
        {
          "tag": "v0.50.1",
          "kind": "patch",
          "published_at": "2026-05-21T07:38:31Z"
        },
        {
          "tag": "v0.50.0",
          "kind": "minor",
          "published_at": "2026-05-20T23:30:36Z"
        },
        {
          "tag": "v0.50.0rc5",
          "kind": "other",
          "published_at": "2026-04-29T20:49:03Z"
        },
        {
          "tag": "v0.50.0rc4",
          "kind": "other",
          "published_at": "2026-03-29T20:15:26Z"
        },
        {
          "tag": "v0.50.0rc3",
          "kind": "other",
          "published_at": "2026-03-11T04:24:36Z"
        },
        {
          "tag": "v0.50.0rc2",
          "kind": "other",
          "published_at": "2026-02-18T18:25:40Z"
        },
        {
          "tag": "v0.30.1",
          "kind": "patch",
          "published_at": "2026-02-10T21:16:11Z"
        },
        {
          "tag": "v0.50.0rc1",
          "kind": "other",
          "published_at": "2026-01-13T05:49:27Z"
        },
        {
          "tag": "v0.30.0",
          "kind": "minor",
          "published_at": "2026-01-08T05:08:00Z"
        },
        {
          "tag": "v0.29.0",
          "kind": "minor",
          "published_at": "2025-01-13T18:09:36Z"
        },
        {
          "tag": "v0.28.0",
          "kind": "minor",
          "published_at": "2024-06-21T13:32:19Z"
        },
        {
          "tag": "v0.27.1",
          "kind": "patch",
          "published_at": "2023-10-26T22:42:34Z"
        },
        {
          "tag": "v0.27.0",
          "kind": "minor",
          "published_at": "2023-10-24T19:44:37Z"
        },
        {
          "tag": "v0.26.0",
          "kind": "minor",
          "published_at": "2023-07-31T19:58:45Z"
        },
        {
          "tag": "v0.25.1",
          "kind": "patch",
          "published_at": "2022-10-31T22:51:31Z"
        },
        {
          "tag": "v0.25.0",
          "kind": "minor",
          "published_at": "2022-06-13T20:45:02Z"
        },
        {
          "tag": "v0.24.0",
          "kind": "minor",
          "published_at": "2021-11-18T20:30:56Z"
        },
        {
          "tag": "v0.23.0",
          "kind": "minor",
          "published_at": "2021-09-24T02:24:00Z"
        },
        {
          "tag": "v0.22.0",
          "kind": "minor",
          "published_at": "2021-08-27T14:04:29Z"
        },
        {
          "tag": "v0.21.0",
          "kind": "minor",
          "published_at": "2021-07-01T05:00:25Z"
        },
        {
          "tag": "v0.20.0",
          "kind": "minor",
          "published_at": "2021-05-17T02:37:17Z"
        },
        {
          "tag": "v0.19.0",
          "kind": "minor",
          "published_at": "2021-03-05T00:45:22Z"
        },
        {
          "tag": "v0.18.0",
          "kind": "minor",
          "published_at": "2021-02-17T17:36:15Z"
        },
        {
          "tag": "v0.17.0",
          "kind": "minor",
          "published_at": "2020-10-02T23:13:48Z"
        },
        {
          "tag": "v0.16.0",
          "kind": "minor",
          "published_at": "2020-08-19T17:51:01Z"
        },
        {
          "tag": "v0.15.1",
          "kind": "patch",
          "published_at": "2020-06-26T02:17:34Z"
        },
        {
          "tag": "v0.15.0",
          "kind": "minor",
          "published_at": "2020-06-25T21:44:17Z"
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                "status": "met",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "branch_protection",
                "name": "Branch-Protection",
                "detail": "internal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 7.5
              },
              {
                "key": "ci_tests",
                "name": "CI-Tests",
                "detail": "7 out of 7 merged PRs checked by a CI test -- score normalized to 10",
                "points": 2.5,
                "status": "met",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "cii_best_practices",
                "name": "CII-Best-Practices",
                "detail": "no effort to earn an OpenSSF best practices badge detected",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "code_review",
                "name": "Code-Review",
                "detail": "Found 4/30 approved changesets -- score normalized to 1",
                "points": 0.8,
                "status": "partial",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "contributors",
                "name": "Contributors",
                "detail": "project has 16 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": "no update tool detected",
                "points": 0,
                "status": "missed",
                "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": "30 commit(s) and 1 issue activity found in the last 90 days -- score normalized to 10",
                "points": 7.5,
                "status": "met",
                "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 run on all commits",
                "points": 5,
                "status": "met",
                "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": "dependency_advisories",
            "band": "exceptional",
            "name": "Dependency advisories",
            "note": "Excluded from scoring (no data or not applicable): No advisories left outstanding. Remaining weights renormalized. Matched the pypi:qcelemental@0.50.4 runtime dependency closure — what installing the published package pulls in — 10 packages. Reachability is not analyzed.",
            "notes": [
              {
                "code": "excluded_no_data",
                "params": {
                  "components": [
                    "no_advisories_left_outstanding"
                  ]
                }
              },
              {
                "code": "weights_renormalized",
                "params": {}
              },
              {
                "code": "advisories_scope_published",
                "params": {
                  "package": "pypi:qcelemental@0.50.4",
                  "assessed": 10
                }
              },
              {
                "code": "advisories_reachability",
                "params": {}
              }
            ],
            "value": 100,
            "inputs": {
              "source": "osv",
              "advisories": 0,
              "affected_packages": 0,
              "assessed_packages": 10,
              "unassessed_packages": 0,
              "affected_by_severity": "none",
              "direct_affected_packages": 0
            },
            "components": [
              {
                "key": "direct_dependencies_free_of_known_advisories",
                "name": "Direct dependencies free of known advisories",
                "detail": "no direct dependency carries a known advisory",
                "points": 35,
                "status": "met",
                "details": [
                  {
                    "code": "no_direct_advisories",
                    "params": {}
                  }
                ],
                "max_points": 35
              },
              {
                "key": "indirect_dependencies_free_of_known_advisories",
                "name": "Indirect dependencies free of known advisories",
                "detail": "no indirect dependency carries a known advisory",
                "points": 25,
                "status": "met",
                "details": [
                  {
                    "code": "no_indirect_advisories",
                    "params": {}
                  }
                ],
                "max_points": 25
              },
              {
                "key": "no_advisories_left_outstanding",
                "name": "No advisories left outstanding",
                "detail": "no advisory carries a publication date",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "advisories_no_publication_date",
                    "params": {}
                  }
                ],
                "max_points": 40
              }
            ]
          },
          {
            "key": "malicious_dependencies",
            "band": "exceptional",
            "name": "Malicious dependencies",
            "note": null,
            "notes": [],
            "value": 100,
            "inputs": {
              "source": "osv",
              "meaning": "reported as a malicious package by the OpenSSF corpus; the remedy is removal or moving off the compromised name, never an upgrade of the same artifact. Versions the registry has since pulled are listed but not scored",
              "packages": [],
              "red_flag": false,
              "assessed_packages": 10,
              "malicious_packages": 0,
              "direct_malicious_packages": 0,
              "withdrawn_malicious_packages": 0,
              "installable_malicious_packages": 0
            },
            "components": [
              {
                "key": "no_dependency_reported_as_a_malicious_package",
                "name": "No dependency reported as a malicious package",
                "detail": "no dependency is reported as a malicious package",
                "points": 100,
                "status": "met",
                "details": [
                  {
                    "code": "no_malicious_dependencies",
                    "params": {}
                  }
                ],
                "max_points": 100
              }
            ]
          },
          {
            "key": "high_risk_jurisdiction_exposure",
            "band": "exceptional",
            "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"
              ],
              "commit_weight_rule": {
                "min_commits": 50,
                "min_commit_share": 0.1
              },
              "review_only_matches": 0,
              "below_threshold_exposures": [],
              "assessed_self_published_locations": 12
            },
            "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": "weak",
        "name": "AI Readiness",
        "value": 41,
        "weight": 0.04,
        "metrics": [
          {
            "key": "ai_agent_context",
            "band": "weak",
            "name": "Agent context & guidance",
            "note": null,
            "notes": [],
            "value": 40,
            "inputs": {
              "has_llms_txt": false,
              "legible_history_share": 0.758,
              "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": "75 of 99 human commits state their intent (structured subject or explanatory body)",
                "points": 40,
                "status": "met",
                "details": [
                  {
                    "code": "legible_history",
                    "params": {
                      "legible": 75,
                      "sampled": 99
                    }
                  }
                ],
                "max_points": 40
              }
            ]
          },
          {
            "key": "ai_verify_loop",
            "band": "weak",
            "name": "Verify loop (build / test / typecheck)",
            "note": null,
            "notes": [],
            "value": 37,
            "inputs": {
              "has_nix": false,
              "has_tests": true,
              "lockfiles": [],
              "has_dockerfile": false,
              "typed_language": false,
              "bootstrap_files": [],
              "has_devcontainer": false,
              "has_linter_config": true,
              "typecheck_configs": [],
              "agent_commit_share": 0.02,
              "toolchain_manifests": [],
              "dependency_bot_commit_share": 0
            },
            "components": [
              {
                "key": "one_command_bootstrap",
                "name": "One-command bootstrap",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "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": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "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": "2 of the last 100 commits agent-authored or agent-credited",
                "points": 4,
                "status": "partial",
                "details": [
                  {
                    "code": "agent_authored_commits",
                    "params": {
                      "count": 2,
                      "sampled": 100
                    }
                  }
                ],
                "max_points": 10
              },
              {
                "key": "automated_maintenance",
                "name": "Automated maintenance",
                "detail": "no automated dependency updates observed",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "no_dependency_automation",
                    "params": {}
                  }
                ],
                "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": "moderate",
            "name": "Code legibility for models",
            "note": null,
            "notes": [],
            "value": 51,
            "inputs": {
              "primary_language": "Python",
              "largest_source_bytes": 117798,
              "source_files_sampled": 118,
              "oversized_source_files": 8
            },
            "components": [
              {
                "key": "type_checkable_code",
                "name": "Type-checkable code",
                "detail": "Python without a type-check config",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "no_typecheck_config_language",
                    "params": {
                      "language": "Python"
                    }
                  }
                ],
                "max_points": 45
              },
              {
                "key": "manageable_file_sizes",
                "name": "Manageable file sizes",
                "detail": "8/118 source files over 60KB",
                "points": 51.3,
                "status": "partial",
                "details": [
                  {
                    "code": "oversized_source_files",
                    "params": {
                      "kb": 60,
                      "sampled": 118,
                      "oversized": 8
                    }
                  }
                ],
                "max_points": 55
              }
            ]
          }
        ],
        "description": "How well is the repo equipped to be developed and maintained with AI coding agents? Carries a deliberately small weight: agent tooling is a real maintenance signal, but its absence must never gate the top of the scale (calibration saturates at raw 91, so 100/100 remains reachable with AI Readiness at zero)."
      }
    ],
    "classification": {
      "labels": [
        "library"
      ],
      "scores": {
        "library": 6
      },
      "primary": "library",
      "evidence": [
        {
          "tier": "distribution",
          "label": "library",
          "source": "registry:pypi",
          "weight": 6
        }
      ],
      "artifacts": [],
      "confidence": "medium",
      "host_extension": false,
      "runs_as_process": false,
      "consumed_by_code": true
    },
    "metrics_version": "2.3.1"
  },
  "warnings": [
    "Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token"
  ],
  "report_type": "repository",
  "generated_at": "2026-08-04T02:23:17.754689Z",
  "schema_version": "0.30.0",
  "badge_url": "https://raw.githubusercontent.com/inspect-software/badges/main/v1/m/MolSSI/QCElemental.svg",
  "full_name": "MolSSI/QCElemental",
  "license_state": "standard",
  "license_spdx": "BSD-3-Clause"
}

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

缺失数据将被剔除并重新归一化权重,绝不按零分计。方法论已版本化并公开:指标 v2.3.1、模式 v0.30.0—— 完整方法论 · 指标知识库.

单项结果在整体记录中的位置: 汇总统计PyPI.