Pymatgen Core
materialsproject/pymatgen-core holds a health index of 80 out of 100, placing it in the Good band. It scores highest on Vitality (93/100) and lowest on AI Readiness (60/100). It was last updated today. 4 contributors account for most of its recent work.
Metrics are grouped into weighted categories on one standardized 1–100 scale. Overall starts as their weighted mean; when public evidence triggers the High-Risk Jurisdiction Policy, the rating is adjusted and receives an At risk ceiling of 49. AI Readiness sits outside the overall score.
Each axis is a category. The shape matters more than the average — a healthy subject fills the whole shape, while a spike-and-crater profile means strength in one dimension is masking risk in another.
This repository is backed by an organization — shared, accountable stewardship that can outlive any single maintainer.
| Registry | Package | Version | Downloads / mo | Versions | Last publish | Tags |
|---|---|---|---|---|---|---|
| PyPI | pymatgen-core | 2026.5.18 | 525,225 | 6 | 57 days ago | abinitanalysiscrystaldiagramselectronicgaussianmaterialsnwchemphaseprojectqchemsciencestructurevasp |
Is the project alive — is code being written and are releases shipping?
| 36/36 | Push recency — last push 0 days ago |
| 24.9/36 | Commit cadence — 36/52 weeks with commits |
| 18/18 | Commit volume — 485 commits in the last year |
| 10/10 | OpenSSF Scorecard: Maintained — 30 commit(s) and 4 issue activity found in the last 90 days -- score normalized to 10 |
| commits_last_year | 485 |
| human_commit_share | — |
| days_since_last_push | 0 |
| active_weeks_last_year | 36 |
| 27/27 | Ships releases — 7 releases published |
| 36/36 | Release recency — latest release 0 days ago |
| 27/27 | Release cadence — a release every ~23.6 days |
| 0/10 | OpenSSF Scorecard: Signed-Releases — no data |
| releases_count | 7 |
| latest_release_tag | v2026.7.16 |
| releases_from_tags | no |
| days_since_latest_release | 0 |
| mean_days_between_releases | 23.6 |
Does the project have users, downloads, attention, and a welcoming setup for contributors?
| 21.1/60 | Stars — 21 stars |
| 12.1/25 | Forks — 29 forks |
| 0/15 | Watchers — 1 watchers |
| forks | 29 |
| stars | 21 |
| watchers | 1 |
| growth_state | unverified |
| growth_factor_pct | 100 |
| growth_unverified_reason | no_history |
| 22.5/22.5 | README |
| 16.9/22.5 | License — license file present, not a recognized license |
| 0/18 | CONTRIBUTING guide |
| 13.5/13.5 | Code of conduct |
| 0/7.2 | Issue template |
| 6.3/6.3 | PR template |
| has_readme | yes |
| has_license | yes |
| has_contributing | no |
| has_issue_template | no |
| has_code_of_conduct | yes |
| has_pull_request_template | yes |
| 76.3/80 | Monthly downloads — 525,225 downloads/month across pypi |
| 0/20 | Registry dependents — not reported by this ecosystem |
| packages | pymatgen-core |
| dependents | — |
| ecosystems | pypi |
| total_downloads | — |
| monthly_downloads | 525,225 |
Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?
| 43.2/54 | Bus factor — 4 contributor(s) cover half of all commits |
| 16.4/22.5 | Commit distribution — top contributor authored 27% of commits |
| 13.5/13.5 | Contributor breadth — 100 contributors |
| 10/10 | OpenSSF Scorecard: Contributors — project has 25 contributing companies or organizations |
| bus_factor | 4 |
| contributors_sampled | 100 |
| top_contributor_share | 0.271 |
| 40.9/46.8 | Issue resolution — 88% of issues closed |
| 36.9/38.3 | PR acceptance — 79/82 decided PRs merged |
| 9/15 | OpenSSF Scorecard: Code-Review — Found 17/28 approved changesets -- score normalized to 6 |
| merged_prs | 79 |
| open_issues | 1 |
| closed_issues | 7 |
| issue_closed_ratio | 0.875 |
| closed_unmerged_prs | 3 |
| 30/30 | Ownership backing — organization-owned |
| 0/20 | Verified domain |
| 21.3/25 | Owner reach — 908 followers of materialsproject |
| 24.8/25 | Track record — 56 public repos, account ~15 yr old |
| followers | 908 |
| owner_type | Organization |
| is_verified | — |
| owner_login | materialsproject |
| public_repos | 56 |
| account_age_days | 5,502 |
| 25/25 | Published & resolvable — 1 package(s) on pypi |
| 35/35 | Publish recency — latest publish 57 days ago |
| 20/20 | Version history — 6 published versions |
| 20/20 | Not deprecated — active, not deprecated or yanked |
| packages | pymatgen-core |
| ecosystems | pypi |
| any_deprecated | no |
| min_days_since_publish | 57 |
Are baseline engineering and documentation practices in place?
| 24/24 | CI workflows — 3 workflow(s) |
| 24/24 | Tests present |
| 16/16 | Linter config |
| 9.6/9.6 | Pre-commit hooks |
| 0/6.4 | .editorconfig |
| 20/20 | OpenSSF Scorecard: CI-Tests — 20 out of 20 merged PRs checked by a CI test -- score normalized to 10 |
| has_ci | yes |
| has_tests | yes |
| has_editorconfig | no |
| has_linter_config | yes |
| has_precommit_config | yes |
| 30/30 | README |
| 0/25 | Documentation directory |
| 15/15 | Documentation / homepage site — https://pymatgen.org |
| 10/10 | Repository description |
| 10/10 | Topics — 4 topics |
| 10/10 | Wiki |
| topics | analysis, dft, materials, science |
| has_wiki | yes |
| homepage | https://pymatgen.org |
| has_readme | yes |
| has_docs_dir | no |
| has_description | yes |
Are visible security and supply-chain practices strong, without unresolved high-risk jurisdiction exposure?
| 7.5/7.5 | Binary-Artifacts — no binaries found in the repo |
| 0/7.5 | Branch-Protection — branch protection not enabled on development/release branches |
| 2.5/2.5 | CI-Tests — 20 out of 20 merged PRs checked by a CI test -- score normalized to 10 |
| 0/2.5 | CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected |
| 4.5/7.5 | Code-Review — Found 17/28 approved changesets -- score normalized to 6 |
| 2.5/2.5 | Contributors — project has 25 contributing companies or organizations |
| 10/10 | Dangerous-Workflow — no dangerous workflow patterns detected |
| 7.5/7.5 | Dependency-Update-Tool — update tool detected |
| 0/5 | Fuzzing — project is not fuzzed |
| 2.2/2.5 | License — license file detected |
| 7.5/7.5 | Maintained — 30 commit(s) and 4 issue activity found in the last 90 days -- score normalized to 10 |
| 5/5 | Packaging — packaging workflow detected |
| 0/5 | Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0 |
| 0/5 | SAST — SAST tool is not run on all commits -- score normalized to 0 |
| 5/5 | Security-Policy — security policy file detected |
| 0/7.5 | Signed-Releases — no data |
| 7.5/7.5 | Token-Permissions — GitHub workflow tokens follow principle of least privilege |
| 7.5/7.5 | Vulnerabilities — 0 existing vulnerabilities detected |
| source | openssf_scorecard |
| checks_evaluated | 17 |
| scorecard_version | v5.5.0 |
| checks_inconclusive | 1 |
| scorecard_aggregate | 7.1 |
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.
| 45/45 | Agent instructions — CLAUDE.md |
| 0/15 | Machine-readable docs (llms.txt) |
| 0/40 | Legible commit history — no data |
| has_llms_txt | no |
| legible_history_share | — |
| agent_instruction_files | CLAUDE.md |
| agent_instruction_max_bytes | 7,864 |
| 0/18 | One-command bootstrap |
| 22/22 | Automated tests |
| 11/11 | Lint / format config |
| 0/11 | Static type checking |
| 10/10 | Reproducible environment — lockfile |
| 0/10 | Demonstrated agent practice — no data |
| 0/8 | Automated maintenance — no data |
| 0/10 | OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0 |
| has_nix | no |
| has_tests | yes |
| lockfiles | uv.lock |
| has_dockerfile | no |
| typed_language | no |
| bootstrap_files | — |
| has_devcontainer | no |
| has_linter_config | yes |
| typecheck_configs | — |
| agent_commit_share | — |
| toolchain_manifests | — |
| dependency_bot_commit_share | — |
| 0/45 | Type-checkable code — HTML without a type-check config |
| 49.7/55 | Manageable file sizes — 39/401 source files over 60KB |
| primary_language | HTML |
| largest_source_bytes | 333,669 |
| source_files_sampled | 401 |
| oversized_source_files | 39 |
Independent, tool-agnostic security assessment from the open-source OpenSSF Scorecard. Each check rewards a security practice, not a specific vendor's tool. Checks Scorecard could not determine are marked n/a and excluded from the security score (never counted as zero).
| 10 | Binary-Artifacts | no binaries found in the repo |
| 0 | Branch-Protection | branch protection not enabled on development/release branches |
| 10 | CI-Tests | 20 out of 20 merged PRs checked by a CI test -- score normalized to 10 |
| 0 | CII-Best-Practices | no effort to earn an OpenSSF best practices badge detected |
| 6 | Code-Review | Found 17/28 approved changesets -- score normalized to 6 |
| 10 | Contributors | project has 25 contributing companies or organizations |
| 10 | Dangerous-Workflow | no dangerous workflow patterns detected |
| 10 | Dependency-Update-Tool | update tool detected |
| 0 | Fuzzing | project is not fuzzed |
| 9 | License | license file detected |
| 10 | Maintained | 30 commit(s) and 4 issue activity found in the last 90 days -- score normalized to 10 |
| 10 | Packaging | packaging workflow detected |
| 0 | Pinned-Dependencies | dependency not pinned by hash detected -- score normalized to 0 |
| 0 | SAST | SAST tool is not run on all commits -- score normalized to 0 |
| 10 | Security-Policy | security policy file detected |
| n/a | Signed-Releases | no releases found |
| 10 | Token-Permissions | GitHub workflow tokens follow principle of least privilege |
| 10 | Vulnerabilities | 0 existing vulnerabilities detected |
| Registry | Package | Version constraint | Manifest |
|---|---|---|---|
| PyPI | bibtexparser | — | pyproject.toml |
| PyPI | joblib | >=1.3.2 | pyproject.toml |
| PyPI | lxml | >=6.1.0 | pyproject.toml |
| PyPI | matplotlib | >=3.8 | pyproject.toml |
| PyPI | monty | >=2026.7.16 | pyproject.toml |
| PyPI | networkx | >=2.7 | pyproject.toml |
| PyPI | numpy | >=1.25.0,<3 | pyproject.toml |
| PyPI | numpy | >=2.1.0,<3 | pyproject.toml |
| PyPI | orjson | >=3.10,<4 | pyproject.toml |
| PyPI | palettable | >=3.3.3 | pyproject.toml |
| PyPI | pandas | >=2 | pyproject.toml |
| PyPI | plotly | >=5.0 | pyproject.toml |
| PyPI | requests | >=2.32.5 | pyproject.toml |
| PyPI | scipy | >=1.13.0 | pyproject.toml |
| PyPI | scipy | >=1.14.1 | pyproject.toml |
| PyPI | spglib | >=2.5 | pyproject.toml |
| PyPI | sympy | >=1.3 | pyproject.toml |
| PyPI | tabulate | >=0.9.0 | pyproject.toml |
| PyPI | tqdm | >=4.67.3 | pyproject.toml |
| PyPI | uncertainties | >=3.1 | pyproject.toml |
Full resolved dependency set from the GitHub dependency graph: 19 direct and 135 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.
| Registry | Package | Version | Relation |
|---|---|---|---|
| PyPI | bibtexparser | 1.4.4 | direct |
| PyPI | joblib | 1.5.3 | direct |
| PyPI | lxml | 6.1.1 | direct |
| PyPI | matplotlib | 3.11.0 | direct |
| PyPI | monty | 2026.7.16 | direct |
| PyPI | networkx | 3.6.1 | direct |
| PyPI | numpy | 2.4.6 | direct |
| PyPI | orjson | 3.11.9 | direct |
| PyPI | palettable | 3.3.3 | direct |
| PyPI | pandas | 3.0.3 | direct |
| PyPI | plotly | 6.9.0 | direct |
| PyPI | requests | 2.34.2 | direct |
| PyPI | scipy | 1.17.1 | direct |
| PyPI | scipy | 1.18.0 | direct |
| PyPI | spglib | 2.7.0 | direct |
| PyPI | sympy | 1.14.0 | direct |
| PyPI | tabulate | 0.10.0 | direct |
| PyPI | tqdm | 4.68.4 | direct |
| PyPI | uncertainties | 3.2.3 | direct |
| PyPI | aiohappyeyeballs | 2.7.1 | indirect |
| PyPI | aiohttp | 3.14.1 | indirect |
| PyPI | aiosignal | 1.4.0 | indirect |
| PyPI | annotated-types | 0.7.0 | indirect |
| PyPI | anyio | 4.14.2 | indirect |
| PyPI | ase | 3.29.0 | indirect |
| PyPI | ast-serialize | 0.6.0 | indirect |
| PyPI | attrs | 26.1.0 | indirect |
| PyPI | beautifulsoup4 | 4.15.0 | indirect |
| PyPI | boto3 | 1.43.46 | indirect |
| PyPI | botocore | 1.43.46 | indirect |
| PyPI | certifi | 2026.6.17 | indirect |
| PyPI | cffi | 2.1.0 | indirect |
| PyPI | cfgv | 3.5.0 | indirect |
| PyPI | cftime | 1.6.5 | indirect |
| PyPI | charset-normalizer | 3.4.9 | indirect |
| PyPI | click | 8.4.2 | indirect |
| PyPI | colorama | 0.4.6 | indirect |
| PyPI | contourpy | 1.3.3 | indirect |
| PyPI | coverage | 7.15.1 | indirect |
| PyPI | cuda-bindings | 13.3.1 | indirect |
| PyPI | cuda-pathfinder | 1.5.6 | indirect |
| PyPI | cuda-toolkit | 13.0.3.0 | indirect |
| PyPI | cycler | 0.12.1 | indirect |
| PyPI | distlib | 0.4.3 | indirect |
| PyPI | distro | 1.9.0 | indirect |
| PyPI | dnspython | 2.8.0 | indirect |
| PyPI | execnet | 2.1.2 | indirect |
| PyPI | f90nml | 1.5 | indirect |
| PyPI | filelock | 3.29.7 | indirect |
| PyPI | fonttools | 4.63.0 | indirect |
| PyPI | frozenlist | 1.8.0 | indirect |
| PyPI | fsspec | 2026.6.0 | indirect |
| PyPI | h11 | 0.16.0 | indirect |
| PyPI | h5py | 3.16.0 | indirect |
| PyPI | hf-xet | 1.5.1 | indirect |
| PyPI | hiphive | 1.5 | indirect |
| PyPI | httpcore | 1.0.9 | indirect |
| PyPI | httpx | 0.28.1 | indirect |
| PyPI | huggingface-hub | 1.23.0 | indirect |
| PyPI | identify | 2.6.19 | indirect |
| PyPI | idna | 3.18 | indirect |
| PyPI | iniconfig | 2.3.0 | indirect |
| PyPI | invoke | 3.0.3 | indirect |
| PyPI | jinja2 | 3.1.6 | indirect |
| PyPI | jiter | 0.16.0 | indirect |
| PyPI | jmespath | 1.1.0 | indirect |
| PyPI | kiwisolver | 1.5.0 | indirect |
| PyPI | librt | 0.13.0 | indirect |
| PyPI | lightning | 2.6.1 | indirect |
| PyPI | lightning-utilities | 0.15.3 | indirect |
| PyPI | llvmlite | 0.48.0 | indirect |
| PyPI | markupsafe | 3.0.3 | indirect |
| PyPI | matcalc | 0.5.1 | indirect |
| PyPI | matgl | 4.0.3 | indirect |
| PyPI | moyopy | 0.14.0 | indirect |
| PyPI | mpmath | 1.3.0 | indirect |
| PyPI | multidict | 6.7.1 | indirect |
| PyPI | mypy | 2.2.0 | indirect |
| PyPI | mypy-extensions | 1.1.0 | indirect |
| PyPI | narwhals | 2.23.0 | indirect |
| PyPI | netcdf4 | 1.7.4 | indirect |
| PyPI | nodeenv | 1.10.0 | indirect |
| PyPI | numba | 0.66.0 | indirect |
| PyPI | nvidia-cublas | 13.1.1.3 | indirect |
| PyPI | nvidia-cuda-cupti | 13.0.85 | indirect |
| PyPI | nvidia-cuda-nvrtc | 13.0.88 | indirect |
| PyPI | nvidia-cuda-runtime | 13.0.96 | indirect |
| PyPI | nvidia-cudnn-cu13 | 9.20.0.48 | indirect |
| PyPI | nvidia-cufft | 12.0.0.61 | indirect |
| PyPI | nvidia-cufile | 1.15.1.6 | indirect |
| PyPI | nvidia-curand | 10.4.0.35 | indirect |
| PyPI | nvidia-cusolver | 12.0.4.66 | indirect |
| PyPI | nvidia-cusparse | 12.6.3.3 | indirect |
| PyPI | nvidia-cusparselt-cu13 | 0.8.1 | indirect |
| PyPI | nvidia-nccl-cu13 | 2.29.7 | indirect |
| PyPI | nvidia-nvjitlink | 13.3.33 | indirect |
| PyPI | nvidia-nvshmem-cu13 | 3.4.5 | indirect |
| PyPI | nvidia-nvtx | 13.0.85 | indirect |
| PyPI | openai | 2.45.0 | indirect |
| PyPI | packaging | 26.2 | indirect |
| PyPI | pathspec | 1.1.1 | indirect |
| PyPI | phono3py | 4.3.3 | indirect |
| PyPI | phonopy | 4.3.1 | indirect |
| PyPI | phonors | 0.3.0 | indirect |
| PyPI | pillow | 12.3.0 | indirect |
| PyPI | platformdirs | 4.10.0 | indirect |
| PyPI | pluggy | 1.6.0 | indirect |
| PyPI | pre-commit | 4.6.0 | indirect |
| PyPI | propcache | 0.5.2 | indirect |
| PyPI | psutil | 7.2.2 | indirect |
| PyPI | pycparser | 3.0 | indirect |
| PyPI | pydantic | 2.13.4 | indirect |
| PyPI | pydantic-core | 2.46.4 | indirect |
| PyPI | pygments | 2.20.0 | indirect |
| PyPI | pymatgen | 2026.5.4 | indirect |
| PyPI | pymatgen-core | 2026.7.16 | indirect |
| PyPI | pymongo | 4.17.0 | indirect |
| PyPI | pyparsing | 3.3.2 | indirect |
| PyPI | pyright | 1.1.411 | indirect |
| PyPI | pytest | 9.1.1 | indirect |
| PyPI | pytest-cov | 7.1.0 | indirect |
| PyPI | pytest-split | 0.11.0 | indirect |
| PyPI | pytest-xdist | 3.8.0 | indirect |
| PyPI | python-dateutil | 2.9.0.post0 | indirect |
| PyPI | python-discovery | 1.4.4 | indirect |
| PyPI | pytorch-lightning | 2.6.5 | indirect |
| PyPI | pyyaml | 6.0.3 | indirect |
| PyPI | pyzeo | 0.2.0 | indirect |
| PyPI | ruamel-yaml | 0.19.1 | indirect |
| PyPI | ruff | 0.15.21 | indirect |
| PyPI | s3transfer | 0.19.1 | indirect |
| PyPI | scikit-learn | 1.9.0 | indirect |
| PyPI | seekpath | 2.2.1 | indirect |
| PyPI | setuptools | 83.0.0 | indirect |
| PyPI | six | 1.17.0 | indirect |
| PyPI | sniffio | 1.3.1 | indirect |
| PyPI | soupsieve | 2.8.4 | indirect |
| PyPI | symfc | 1.7.3 | indirect |
| PyPI | tblite | 0.6.0 | indirect |
| PyPI | threadpoolctl | 3.6.0 | indirect |
| PyPI | tomli | 2.4.1 | indirect |
| PyPI | torch | 2.13.0 | indirect |
| PyPI | torch-geometric | 2.8.0 | indirect |
| PyPI | torchdata | 0.11.0 | indirect |
| PyPI | torchmetrics | 1.9.0 | indirect |
| PyPI | trainstation | 1.2 | indirect |
| PyPI | triton | 3.7.1 | indirect |
| PyPI | typing-extensions | 4.16.0 | indirect |
| PyPI | typing-inspection | 0.4.2 | indirect |
| PyPI | tzdata | 2026.3 | indirect |
| PyPI | urllib3 | 2.7.0 | indirect |
| PyPI | virtualenv | 21.6.1 | indirect |
| PyPI | xxhash | 3.8.1 | indirect |
| PyPI | yarl | 1.24.2 | indirect |
{
"data": {
"repo": {
"topics": [
"analysis",
"dft",
"materials",
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],
"is_fork": false,
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},
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"owner_type": "Organization",
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"ecosystem": {
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"Development Status :: 4 - Beta",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
"Programming Language :: Python :: 3.14",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Information Analysis",
"Topic :: Scientific/Engineering :: Physics",
"Topic :: Software Development :: Libraries :: Python Modules"
],
"ecosystem": "pypi",
"matches_repo": true,
"registry_url": "https://pypi.org/project/pymatgen-core/",
"is_deprecated": false,
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"versions_count": 6,
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"ai_readiness": {
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"largest_source_bytes": 333669,
"source_files_sampled": 401,
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"agent_instruction_files": [
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"dependencies": {
"manifests": [
"pyproject.toml",
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"ecosystems": [
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"dependencies": [
{
"name": "bibtexparser",
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{
"name": "joblib",
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}Scores are signals, not warranties. They reflect publicly visible practices on GitHub — not a code audit, and not a security guarantee.
Missing data is excluded and weights renormalized, never scored as zero. Methodology is versioned and open: metrics v1.13.0, schema v0.11.0 — full methodology · metrics wiki.
How one result sits in the wider record: aggregate statistics — PyPI.