Публічний реєстр
Звіт про здоров'я програмного забезпеченнясхема 0.27.0 · метрики 1.13.0 · 2026-07-26 07:04 UTC

dralgroup / mlatom

AI-enhanced computational chemistry

Python · FortranApache-2.0★ 153 зірки⑂ 21 форкз серп. 2023 р.Переглянути на GitHub ↗

dralgroup/mlatom має індекс здоров’я 56 зі 100, що відповідає смузі «Помірний». Найвищий показник — Vitality (75/100), найнижчий — AI Readiness (40/100). Останнє оновлення було 11 днів тому. Більшість нещодавньої роботи виконує один учасник.

56
загалом / 100
Помірний

Індекс здоров'я програмного забезпечення

Метрики згруповано у зважені категорії на шкалі 1–100. Загальна оцінка починається як їхнє середнє; коли публічні дані активують Політику юрисдикцій високого ризику, рейтинг коригується й отримує верхню межу 49 («Під ризиком»). Готовність до ШІ не входить до індексу.

56
Відмінний85-100Зразковий; відповідає практично всім перевіреним критеріям
Добрий70-84Здоровий; незначні прогалини
Помірний50-69Прийнятний, але з помітними прогалинами; рекомендовано перевірку
У зоні ризику30-49Суттєві слабкі місця; впровадження потребує обережності
Критичний1-29Серйозні проблеми (покинутий, єдиний мейнтейнер, без базової гігієни)
ЖиттєздатністьСпільнота тавпровадженняСталість таврядуванняІнженернаякістьБезпекаГотовність доШІ

Профіль оцінок

Кожна вісь — окрема категорія. Форма важить більше, ніж середнє: здоровий об'єкт заповнює всю фігуру, тоді як профіль із піками та провалами означає, що сила в одному вимірі маскує ризик в іншому.

Власність

Pavlo O. Dral & groupОсобистий обліковий запис
70 підписників24 публічні репозиторіїз лют. 2022 р.Xiamen University

Цей репозиторій належить особистому обліковому запису. Проєкт з єдиним власником несе більший ризик безперервності, ніж підтримуваний організацією.

Пакетні екосистеми

РеєстрПакетВерсіяЗавантажень / місВерсіїОстання публікація
PyPImlatomвказує на інший репозиторій — не оцінюється3.23.4-6011 днів тому

Метрики за категоріями

Життєздатність

Чи живий проєкт — чи пишеться код і чи виходять релізи?

75Добрий · 22% загального індексу
Як обчислюється оцінка
28.8/36Свіжість push — останній push 11 дн. тому
6.2/36Ритм комітів — 9/52 тижнів із комітами
13.3/18Обсяг комітів — 29 комітів за останній рік
10/10OpenSSF Scorecard: Maintained — 14 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10
Використані вхідні дані
commits_last_year29
human_commit_share1
days_since_last_push11
active_weeks_last_year9
Як обчислюється оцінка
27/27Випускає релізи — опубліковано 38 релізів
36/36Свіжість релізів — останній реліз 11 дн. тому
27/27Ритм релізів — реліз кожні ~0,1 дн.
0/10OpenSSF Scorecard: Signed-Releases — немає даних
Використані вхідні дані
releases_count38
latest_release_tagv3.23.4
releases_from_tagsні
days_since_latest_release11
mean_days_between_releases0,1
Виключено з оцінювання (немає даних або не застосовно): OpenSSF Scorecard: Signed-Releases. Залишкові ваги перенормовано.

Спільнота та впровадження

Чи має проєкт користувачів, завантаження, увагу та влаштовані умови для контриб’юторів?

65Помірний · 18% загального індексу
Як обчислюється оцінка
35.4/60Зірки — 153 зірок
10.8/25Форки — 21 форків
1.7/15Спостерігачі — 3 спостерігачів
Використані вхідні дані
forks21
stars153
watchers3
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history
Як обчислюється оцінка
22.5/22.5README
22.5/22.5Ліцензія — визнана ліцензія (Apache-2.0)
18/18Настанови CONTRIBUTING
13.5/13.5Кодекс поведінки
0/7.2Шаблон issue
0/6.3Шаблон PR
Використані вхідні дані
has_readmeтак
has_licenseтак
has_contributingтак
has_issue_templateні
has_code_of_conductтак
has_pull_request_templateні

Сталість та врядування

Чи переживе проєкт своїх людей — бас-фактор, реактивність, хто за ним стоїть і як супроводжуються пакети?

46У зоні ризику · 24% загального індексу
Як обчислюється оцінка
9/54Бас-фактор — на 1 контриб’ютор(ів) припадає половина всіх комітів
5.3/22.5Розподіл комітів — головний контриб’ютор — автор 77% комітів
5.4/13.5Широта контриб’юторів — 4 контриб’юторів
3/10OpenSSF Scorecard: Contributors — project has 1 contributing companies or organizations -- score normalized to 3
Використані вхідні дані
bus_factor1
contributors_sampled4
top_contributor_share0,766
Як обчислюється оцінка
29.2/46.8Вирішення issue — закрито 62% issue
36.3/38.3Прийняття PR — злито 38/40 вирішених PR
3/15OpenSSF Scorecard: Code-Review — Found 6/24 approved changesets -- score normalized to 2
Використані вхідні дані
merged_prs38
open_issues3
closed_issues5
issue_closed_ratio0,625
closed_unmerged_prs2
Як обчислюється оцінка
10/30Підтримка власника — особистий (користувацький) обліковий запис
0/20Верифікований домен — не застосовно до користувацьких облікових записів
13.3/25Охоплення власника — 70 підписників у dralgroup
19/25Послужний список — 24 публічних репозиторіїв, вік облікового запису ~4 р.
Використані вхідні дані
followers70
owner_typeUser
is_verified
owner_logindralgroup
public_repos24
account_age_days1 620
Виключено з оцінювання (немає даних або не застосовно): Верифікований домен. Залишкові ваги перенормовано.

Інженерна якість

Чи наявні базові інженерні практики та документація?

44У зоні ризику · 20% загального індексу
Як обчислюється оцінка
24/24Процеси CI — 1 процес(ів) CI
0/24Наявні тести
0/16Конфігурація лінтера
0/9.6Pre-commit-хуки
0/6.4.editorconfig
0/20OpenSSF Scorecard: CI-Tests — 0 out of 6 merged PRs checked by a CI test -- score normalized to 0
Використані вхідні дані
has_ciтак
has_testsні
has_editorconfigні
has_linter_configні
has_precommit_configні
Як обчислюється оцінка
30/30README
0/25Каталог документації
15/15Сайт документації / домашня сторінка — http://mlatom.com
10/10Опис репозиторію
10/10Теми — 11 тем
10/10Wiki
Використані вхідні дані
topicsartificial-intelligence, computational-chemistry, machine-learning, machine-learning-potential, quantum-chemistry, quantum-chemistry-programs, quantum-mechanics, deep-learning, kernel-method, kernel-ridge-regression, neural-network
has_wikiтак
homepagehttp://mlatom.com
has_readmeтак
has_docs_dirні
has_descriptionтак

Безпека

Чи міцні видимі практики безпеки й ланцюга постачання, без непослабленої пов’язаності з юрисдикціями високого ризику?

49У зоні ризику · 16% загального індексу

Стан безпеки

45У зоні ризику
Як обчислюється оцінка
3.8/7.5Binary-Artifacts — binaries present in source code
0/7.5Branch-Protection — немає даних
0/2.5CI-Tests — 0 out of 6 merged PRs checked by a CI test -- score normalized to 0
0/2.5CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected
1.5/7.5Code-Review — Found 6/24 approved changesets -- score normalized to 2
0.8/2.5Contributors — project has 1 contributing companies or organizations -- score normalized to 3
10/10Dangerous-Workflow — no dangerous workflow patterns detected
0/7.5Dependency-Update-Tool — no update tool detected
0/5Fuzzing — project is not fuzzed
2.5/2.5Ліцензія — license file detected
7.5/7.5Maintained — 14 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10
0/5Packaging — немає даних
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
5/5Security-Policy — security policy file detected
0/7.5Signed-Releases — немає даних
0/7.5Token-Permissions — detected GitHub workflow tokens with excessive permissions
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
Використані вхідні дані
sourceopenssf_scorecard
checks_evaluated15
scorecard_versionv5.5.0
checks_inconclusive3
scorecard_aggregate4,5
Виключено з оцінювання (немає даних або не застосовно): branch_protection, packaging, signed_releases. Залишкові ваги перенормовано.
Як обчислюється оцінка
6.6/35Прямі залежності без відомих сповіщень — уражено 2: torch 2.1.2 (critical 9.8), setuptools 80.10.2 (moderate 6.1)
25/25Непрямі залежності без відомих сповіщень — жодна непряма залежність не має відомих сповіщень
32.1/40Немає задавнених сповіщень — 1 пакет(ів) зі сповіщеннями без реакції понад 90 дн.; найдавніше опубліковано 829 дн. тому
Використані вхідні дані
sourceosv
advisories30
affected_packages2
assessed_packages55
unassessed_packages0
affected_by_severitycritical 1, moderate 1
direct_affected_packages2
Звірено з runtime-замиканням залежностей pypi:mlatom@3.23.4 — тим, що тягне за собою встановлення опублікованого пакета, — 55 пакетів. Досяжність не аналізується.

Готовність до ШІ

Наскільки репозиторій оснащений для розробки та супроводу за участі ШІ-агентів? Незалежний, експериментальний бейдж — вага 0.0, тож він подається окремо і не впливає на загальний індекс здоров'я.

40У зоні ризику · 0% загального індексу
Як обчислюється оцінка
45/45Інструкції для агентів — AGENTS.md
0/15Машиночитана документація (llms.txt)
20.3/40Читабельна історія комітів — намір зазначено у 38 з 100 людських комітів (структурований заголовок або пояснювальний текст)
Використані вхідні дані
has_llms_txtні
legible_history_share0,38
agent_instruction_filesAGENTS.md
agent_instruction_max_bytes2 804
Як обчислюється оцінка
18/18Розгортання однією командою — mlatom/MLatomF_src/Makefile
0/22Автоматизовані тести
0/11Конфігурація лінтера / форматера
0/11Статична перевірка типів
0/10Відтворюване середовище
0/10Підтверджена практика роботи з агентами — серед останніх 100 комітів немає створених агентом
0/8Автоматизоване супроводження — автоматичних оновлень залежностей не виявлено
0/10OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
Використані вхідні дані
has_nixні
has_testsні
lockfiles
has_dockerfileні
typed_languageні
bootstrap_filesmlatom/MLatomF_src/Makefile
has_devcontainerні
has_linter_configні
typecheck_configs
agent_commit_share0
toolchain_manifests
dependency_bot_commit_share0
Як обчислюється оцінка
0/45Типізований код — Python без конфігурації перевірки типів
50.2/55Керовані розміри файлів — 9/103 файлів вихідного коду понад 60 КБ
Використані вхідні дані
primary_languagePython
largest_source_bytes195 102
source_files_sampled103
oversized_source_files9

Ключові факти

153зірок GitHub
4контриб'юторів
29комітів за останні 12 місяців
11днів від останнього пушу
38релізів
1бас-фактор
3відкритих issue
PyPIпакетних екосистем

Попередження щодо збору даних

  • Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token
  • pypi package 'mlatom' points at a different repository (http://mlatom.com); excluded from ecosystem scoring

Докладніше

Історія зірок і форків 0 ★ / 21 ⇿
0Зірки
21Форки

Коли додано кожну зірку й форк — зібрано з GitHub і згруповано за днями. Кумулятивне зростання розміщено просто над денними додаваннями, з яких воно складається, тож їх видно одне проти одного: рівномірне органічне накопичення виглядає зовсім інакше, ніж різкий короткочасний сплеск. Там, де цю різницю можна виміряти, її подано як автентичність росту.

048121620242122023-112025-032026-07

Кожна точка охоплює 3 днів.

OpenSSF Scorecard 4.5 / 10
4.5сукупно

Незалежна, не прив'язана до інструментів оцінка безпеки від відкритого проєкту OpenSSF Scorecard. Кожна перевірка винагороджує практику безпеки, а не інструмент конкретного постачальника. Перевірки, які Scorecard не зміг визначити, позначено н/д і виключено з оцінки безпеки (вони ніколи не зараховуються як нуль).Scorecard v5.5.0 · 2026-07-26 07:03 UTC

5Binary-Artifactsbinaries present in source code
н/дBranch-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
0CI-Tests0 out of 6 merged PRs checked by a CI test -- score normalized to 0
0CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
2Code-ReviewFound 6/24 approved changesets -- score normalized to 2
3Contributorsproject has 1 contributing companies or organizations -- score normalized to 3
10Dangerous-Workflowno dangerous workflow patterns detected
0Dependency-Update-Toolno update tool detected
0Fuzzingproject is not fuzzed
10Licenselicense file detected
10Maintained14 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10
н/дPackagingpackaging 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
10Security-Policysecurity policy file detected
н/дSigned-Releasesno releases found
0Token-Permissionsdetected GitHub workflow tokens with excessive permissions
10Vulnerabilities0 existing vulnerabilities detected
Прямі залежності 14
РеєстрПакетОбмеження версіїМаніфест
PyPInumpy<2pyproject.toml
PyPIscipypyproject.toml
PyPIh5pypyproject.toml
PyPIpyh5mdpyproject.toml
PyPItorch==2.1.2pyproject.toml
PyPItorchani==2.2.3pyproject.toml
PyPIsetuptools<81pyproject.toml
PyPImatplotlibpyproject.toml
PyPIstatsmodelspyproject.toml
PyPItqdmpyproject.toml
PyPIjoblibpyproject.toml
PyPIrequestspyproject.toml
PyPIpsutilpyproject.toml
PyPIgeometricpyproject.toml
Усі залежності 4

Повний розв'язаний набір залежностей із графа залежностей GitHub: 4 прямих і 0 непрямих (транзитивних) пакетів. Транзитивне замикання є повним, коли в репозиторії закомічено lockfile.

РеєстрПакетВерсіяЗв'язок
PyPInumpyпряма
PyPIsetuptoolsпряма
PyPItorch2.1.2пряма
PyPItorchani2.2.3пряма
Сповіщення про залежності 2

Встановлення pypi:mlatom@3.23.4 тягне 55 пакетів, прямих і транзитивних: 2 мають відомі сповіщення, з них 2 — прямі залежності.

ПакетВерсіяЗв'язокКритичністьСповіщеньВиправлено в
torch2.1.2прямакритична282.13.0
setuptools80.10.2прямапомірна283.0.0

Сповіщення означає, що версія, записана в графі залежностей, потрапляє в уражений діапазон. Досяжність не аналізується, а граф містить піниї розробки й тестування — знахідка може стосуватися інструментів, а не поставленого коду.

Звіт у форматі JSON машиночитний
{
  "data": {
    "repo": {
      "topics": [
        "artificial-intelligence",
        "computational-chemistry",
        "machine-learning",
        "machine-learning-potential",
        "quantum-chemistry",
        "quantum-chemistry-programs",
        "quantum-mechanics",
        "deep-learning",
        "kernel-method",
        "kernel-ridge-regression",
        "neural-network"
      ],
      "is_fork": false,
      "size_kb": 207535,
      "has_wiki": true,
      "homepage": "http://mlatom.com",
      "languages": {
        "C++": 2360,
        "Julia": 22288,
        "Shell": 982,
        "Python": 2163931,
        "Fortran": 478446,
        "Gnuplot": 174,
        "Makefile": 2507
      },
      "pushed_at": "2026-07-15T00:35:28Z",
      "created_at": "2023-08-16T13:47:48Z",
      "owner_type": "User",
      "updated_at": "2026-07-18T07:37:12Z",
      "description": "AI-enhanced computational chemistry",
      "is_archived": false,
      "is_disabled": false,
      "license_spdx": "Apache-2.0",
      "default_branch": "main",
      "license_spdx_raw": "Apache-2.0",
      "primary_language": "Python",
      "significant_languages": [
        "Python",
        "Fortran"
      ]
    },
    "owner": {
      "blog": "http://dr-dral.com",
      "name": "Pavlo O. Dral & group",
      "type": "User",
      "login": "dralgroup",
      "company": "Xiamen University",
      "location": "Xiamen, China",
      "followers": 70,
      "avatar_url": "https://avatars.githubusercontent.com/u/99856727?v=4",
      "created_at": "2022-02-17T03:54:20Z",
      "is_verified": null,
      "public_repos": 24,
      "account_age_days": 1620
    },
    "license": {
      "state": "standard",
      "spdx_id": "Apache-2.0",
      "raw_spdx": "Apache-2.0",
      "file_present": true,
      "scorecard_found": true,
      "profile_has_license": true
    },
    "activity": {
      "releases": [
        {
          "tag": "v3.23.4",
          "kind": "patch",
          "published_at": "2026-07-15T00:35:42Z"
        },
        {
          "tag": "v3.23.3",
          "kind": "patch",
          "published_at": "2026-07-14T08:12:46Z"
        },
        {
          "tag": "v3.23.2",
          "kind": "patch",
          "published_at": "2026-07-14T08:12:43Z"
        },
        {
          "tag": "v3.23.1",
          "kind": "patch",
          "published_at": "2026-07-14T08:12:41Z"
        },
        {
          "tag": "v3.23.0",
          "kind": "minor",
          "published_at": "2026-07-14T08:12:38Z"
        },
        {
          "tag": "v3.22.0",
          "kind": "minor",
          "published_at": "2026-07-14T08:12:35Z"
        },
        {
          "tag": "v3.21.0",
          "kind": "minor",
          "published_at": "2026-07-14T08:12:33Z"
        },
        {
          "tag": "v3.20.0",
          "kind": "minor",
          "published_at": "2026-07-14T08:12:30Z"
        },
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      "note": null,
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      "components": []
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        "metrics": [
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              "commits_last_year": 29,
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                "max_points": 36
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                "key": "commit_cadence",
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          },
          {
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                "key": "ships_releases",
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              "cap": null,
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        ],
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        "key": "community",
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        "name": "Community & Adoption",
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        "weight": 0.18,
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          {
            "key": "popularity",
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            "components": [
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                "key": "stars",
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                "details": [
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                    "code": "stars",
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                      "count": 153
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                  }
                ],
                "max_points": 60
              },
              {
                "key": "forks",
                "name": "Forks",
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                    "code": "forks",
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                      "count": 21
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                ],
                "max_points": 25
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              {
                "key": "watchers",
                "name": "Watchers",
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                    "code": "watchers",
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                      "count": 3
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                "max_points": 15
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            ]
          },
          {
            "key": "community_health",
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            "name": "Community health",
            "note": null,
            "notes": [],
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            "inputs": {
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                "key": "license",
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                "detail": "recognized license (Apache-2.0)",
                "points": 22.5,
                "status": "met",
                "details": [
                  {
                    "code": "license_standard",
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                  {
                    "code": "license_spdx",
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              {
                "key": "contributing_guide",
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              {
                "key": "code_of_conduct",
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              {
                "key": "issue_template",
                "name": "Issue template",
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                "points": 0,
                "status": "missed",
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                "key": "pr_template",
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        ],
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      {
        "key": "governance",
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        "name": "Sustainability & Governance",
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            "key": "maintainer_resilience",
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            "notes": [],
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            "inputs": {
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                "key": "bus_factor",
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                "status": "partial",
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              {
                "key": "commit_distribution",
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                "status": "partial",
                "details": [
                  {
                    "code": "top_contributor_share",
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                "max_points": 22.5
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              {
                "key": "contributor_breadth",
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                "status": "partial",
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                    "code": "contributors_sampled",
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                "max_points": 13.5
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              {
                "key": "openssf_scorecard_contributors",
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                "points": 3,
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          },
          {
            "key": "responsiveness",
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            "note": null,
            "notes": [],
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            "inputs": {
              "merged_prs": 38,
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              "issue_closed_ratio": 0.625,
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            "components": [
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                "key": "issue_resolution",
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                "status": "partial",
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                    "code": "issues_closed_share",
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                "max_points": 46.75
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                "key": "pr_acceptance",
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                "status": "partial",
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                    "code": "decided_prs_merged",
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                "max_points": 38.25
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                "key": "openssf_scorecard_code_review",
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          },
          {
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            "notes": [
              {
                "code": "excluded_no_data",
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            "inputs": {
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              "account_age_days": 1620
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            "components": [
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                "key": "ownership_backing",
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                "status": "partial",
                "details": [
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                    "code": "owner_personal",
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                ],
                "max_points": 30
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              {
                "key": "verified_domain",
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                "status": "excluded",
                "details": [
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                "max_points": 20
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              {
                "key": "owner_reach",
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                  }
                ],
                "max_points": 25
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              {
                "key": "track_record",
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                "details": [
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                  {
                    "code": "account_age_years",
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                "max_points": 25
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        ],
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                "max_points": 24
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                "key": "tests_present",
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              {
                "key": "linter_config",
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              {
                "key": "editorconfig",
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                "key": "openssf_scorecard_ci_tests",
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            ]
          },
          {
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            "notes": [],
            "value": 75,
            "inputs": {
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                "quantum-chemistry",
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                "deep-learning",
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          }
        ],
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        "metrics": [
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              },
              {
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            "value": 45,
            "inputs": {
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                "key": "cii_best_practices",
                "name": "CII-Best-Practices",
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                "status": "missed",
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                "key": "code_review",
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              {
                "key": "contributors",
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                "details": [],
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              },
              {
                "key": "dependency_update_tool",
                "name": "Dependency-Update-Tool",
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                "status": "missed",
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              },
              {
                "key": "fuzzing",
                "name": "Fuzzing",
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                "status": "missed",
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                "max_points": 5
              },
              {
                "key": "license",
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                "status": "met",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "maintained",
                "name": "Maintained",
                "detail": "14 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10",
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                "status": "met",
                "details": [],
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              },
              {
                "key": "packaging",
                "name": "Packaging",
                "detail": "packaging workflow not detected",
                "points": 0,
                "status": "excluded",
                "details": [
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                ],
                "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 detected",
                "points": 5,
                "status": "met",
                "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": "moderate",
            "name": "Dependency advisories",
            "note": "Matched the pypi:mlatom@3.23.4 runtime dependency closure — what installing the published package pulls in — 55 packages. Reachability is not analyzed.",
            "notes": [
              {
                "code": "advisories_scope_published",
                "params": {
                  "package": "pypi:mlatom@3.23.4",
                  "assessed": 55
                }
              },
              {
                "code": "advisories_reachability",
                "params": {}
              }
            ],
            "value": 64,
            "inputs": {
              "source": "osv",
              "advisories": 30,
              "affected_packages": 2,
              "assessed_packages": 55,
              "unassessed_packages": 0,
              "affected_by_severity": "critical 1, moderate 1",
              "direct_affected_packages": 2
            },
            "components": [
              {
                "key": "direct_dependencies_free_of_known_advisories",
                "name": "Direct dependencies free of known advisories",
                "detail": "2 affected: torch 2.1.2 (critical 9.8), setuptools 80.10.2 (moderate 6.1)",
                "points": 6.6,
                "status": "partial",
                "details": [
                  {
                    "code": "advisories_affected",
                    "params": {
                      "count": 2,
                      "packages": "torch 2.1.2 (critical 9.8), setuptools 80.10.2 (moderate 6.1)"
                    }
                  }
                ],
                "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": "1 advisory-carrying package(s) unaddressed past 90 days; oldest published 829 days ago",
                "points": 32.1,
                "status": "partial",
                "details": [
                  {
                    "code": "advisories_stale",
                    "params": {
                      "days": 90,
                      "count": 1,
                      "oldest": 829
                    }
                  }
                ],
                "max_points": 40
              }
            ]
          },
          {
            "key": "malicious_dependencies",
            "band": "excellent",
            "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": 55,
              "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": "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": 2
            },
            "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": "at_risk",
        "name": "AI Readiness",
        "value": 40,
        "weight": 0,
        "metrics": [
          {
            "key": "ai_agent_context",
            "band": "moderate",
            "name": "Agent context & guidance",
            "note": null,
            "notes": [],
            "value": 65,
            "inputs": {
              "has_llms_txt": false,
              "legible_history_share": 0.38,
              "agent_instruction_files": [
                "AGENTS.md"
              ],
              "agent_instruction_max_bytes": 2804
            },
            "components": [
              {
                "key": "agent_instructions",
                "name": "Agent instructions",
                "detail": "AGENTS.md",
                "points": 45,
                "status": "met",
                "details": [
                  {
                    "code": "file_list",
                    "params": {
                      "files": "AGENTS.md"
                    }
                  }
                ],
                "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": "38 of 100 human commits state their intent (structured subject or explanatory body)",
                "points": 20.3,
                "status": "partial",
                "details": [
                  {
                    "code": "legible_history",
                    "params": {
                      "legible": 38,
                      "sampled": 100
                    }
                  }
                ],
                "max_points": 40
              }
            ]
          },
          {
            "key": "ai_verify_loop",
            "band": "critical",
            "name": "Verify loop (build / test / typecheck)",
            "note": null,
            "notes": [],
            "value": 18,
            "inputs": {
              "has_nix": false,
              "has_tests": false,
              "lockfiles": [],
              "has_dockerfile": false,
              "typed_language": false,
              "bootstrap_files": [
                "mlatom/MLatomF_src/Makefile"
              ],
              "has_devcontainer": false,
              "has_linter_config": false,
              "typecheck_configs": [],
              "agent_commit_share": 0,
              "toolchain_manifests": [],
              "dependency_bot_commit_share": 0
            },
            "components": [
              {
                "key": "one_command_bootstrap",
                "name": "One-command bootstrap",
                "detail": "mlatom/MLatomF_src/Makefile",
                "points": 18,
                "status": "met",
                "details": [
                  {
                    "code": "file_list",
                    "params": {
                      "files": "mlatom/MLatomF_src/Makefile"
                    }
                  }
                ],
                "max_points": 18
              },
              {
                "key": "automated_tests",
                "name": "Automated tests",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 22
              },
              {
                "key": "lint_format_config",
                "name": "Lint / format config",
                "detail": null,
                "points": 0,
                "status": "missed",
                "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": "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": "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": 50,
            "inputs": {
              "primary_language": "Python",
              "largest_source_bytes": 195102,
              "source_files_sampled": 103,
              "oversized_source_files": 9
            },
            "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": "9/103 source files over 60KB",
                "points": 50.2,
                "status": "partial",
                "details": [
                  {
                    "code": "oversized_source_files",
                    "params": {
                      "kb": 60,
                      "sampled": 103,
                      "oversized": 9
                    }
                  }
                ],
                "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",
    "pypi package 'mlatom' points at a different repository (http://mlatom.com); excluded from ecosystem scoring"
  ],
  "report_type": "repository",
  "generated_at": "2026-07-26T07:04:13.993018Z",
  "schema_version": "0.27.0",
  "badge_url": "https://raw.githubusercontent.com/inspect-software/badges/main/v1/d/dralgroup/mlatom.svg",
  "full_name": "dralgroup/mlatom",
  "license_state": "standard",
  "license_spdx": "Apache-2.0"
}

Оцінки — це сигнали, а не гарантії. Вони відображають публічно видимі практики на GitHub — це не аудит коду й не гарантія безпеки.

Відсутні дані виключаються, а ваги перенормовуються — нуль за відсутність ніколи не ставиться. Методологія версіонована й відкрита: метрики v1.13.0, схема v0.27.0 — повна методологія · вікі метрик.

Як окремий результат виглядає на тлі всього реєстру: сукупна статистикаPyPI.