Public recordExcellent
Software health reportschema 0.12.0 · metrics 1.13.0 · 2026-07-18 14:27 UTC
materialsproject / pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
materialsproject/pymatgen holds a health index of 86 out of 100, placing it in the Excellent band. It scores highest on Vitality (92/100) and lowest on AI Readiness (54/100). It was last updated 1 day ago. 5 contributors account for most of its recent work.
86
overall / 100Software health index
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.
86
Excellent85-100Exemplary; meets essentially all checked criteria
Good70-84Healthy; minor gaps
Moderate50-69Acceptable with notable gaps; review recommended
At risk30-49Significant weaknesses; adoption warrants caution
Critical1-29Severe problems (abandoned, single-maintainer, no hygiene)
Score profile
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.
Ownership
Materials ProjectOrganization
909 followers56 public repossince Jun 2011
This repository is backed by an organization — shared, accountable stewardship that can outlive any single maintainer.
Package ecosystems
| Registry | Package | Version | Downloads / mo | Versions | Last publish | Tags |
|---|---|---|---|---|---|---|
| PyPI | pymatgen | 2026.5.4 | 763,367 | 411 | 74 days ago | abinitvaspanalysiscrystaldiagramselectronicgaussianmaterialsnwchemphaseprojectqchemsciencestructure |
Metrics by category
Vitality
Is the project alive — is code being written and are releases shipping?
92
Development activity
86Excellent
How it's scored
| 36/36 | Push recency — last push 1 days ago |
| 22.2/36 | Commit cadence — 32/52 weeks with commits |
| 18/18 | Commit volume — 284 commits in the last year |
| 10/10 | OpenSSF Scorecard: Maintained — 30 commit(s) and 3 issue activity found in the last 90 days -- score normalized to 10 |
Inputs used
| commits_last_year | 284 |
| human_commit_share | — |
| days_since_last_push | 1 |
| active_weeks_last_year | 32 |
Release discipline
100Excellent
How it's scored
| 27/27 | Ships releases — 100 releases published |
| 36/36 | Release recency — latest release 74 days ago |
| 27/27 | Release cadence — a release every ~42.2 days |
| 0/10 | OpenSSF Scorecard: Signed-Releases — no data |
Inputs used
| releases_count | 100 |
| latest_release_tag | v2026.5.4 |
| releases_from_tags | no |
| days_since_latest_release | 74 |
| mean_days_between_releases | 42.2 |
Excluded from scoring (no data or not applicable): OpenSSF Scorecard: Signed-Releases. Remaining weights renormalized.
Community & Adoption
Does the project have users, downloads, attention, and a welcoming setup for contributors?
90
Popularity & adoption
89Excellent
How it's scored
| 53.3/60 | Stars — 1,926 stars |
| 24.8/25 | Forks — 959 forks |
| 11.3/15 | Watchers — 109 watchers |
Inputs used
| forks | 959 |
| stars | 1,926 |
| watchers | 109 |
| growth_state | unverified |
| growth_factor_pct | 100 |
| growth_unverified_reason | no_history |
Community health
86Excellent
How it's scored
| 22.5/22.5 | README |
| 16.9/22.5 | License — license file present, not a recognized license |
| 18/18 | CONTRIBUTING guide |
| 13.5/13.5 | Code of conduct |
| 0/7.2 | Issue template |
| 6.3/6.3 | PR template |
Inputs used
| has_readme | yes |
| has_license | yes |
| has_contributing | yes |
| has_issue_template | no |
| has_code_of_conduct | yes |
| has_pull_request_template | yes |
Ecosystem adoption (downloads)
98Excellent
How it's scored
| 78.4/80 | Monthly downloads — 763,367 downloads/month across pypi |
| 0/20 | Registry dependents — not reported by this ecosystem |
Inputs used
| packages | pymatgen |
| dependents | — |
| ecosystems | pypi |
| total_downloads | — |
| monthly_downloads | 763,367 |
Excluded from scoring (no data or not applicable): Registry dependents. Remaining weights renormalized.
Sustainability & Governance
Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?
85
Maintainer resilience (bus factor)
85Excellent
How it's scored
| 45.9/54 | Bus factor — 5 contributor(s) cover half of all commits |
| 15.9/22.5 | Commit distribution — top contributor authored 29% of commits |
| 13.5/13.5 | Contributor breadth — 100 contributors |
| 10/10 | OpenSSF Scorecard: Contributors — project has 26 contributing companies or organizations |
Inputs used
| bus_factor | 5 |
| contributors_sampled | 100 |
| top_contributor_share | 0.292 |
How it's scored
| 42.6/46.8 | Issue resolution — 91% of issues closed |
| 34.2/38.3 | PR acceptance — 2,709/3,034 decided PRs merged |
| 4.5/15 | OpenSSF Scorecard: Code-Review — Found 8/21 approved changesets -- score normalized to 3 |
Inputs used
| merged_prs | 2,709 |
| open_issues | 135 |
| closed_issues | 1,381 |
| issue_closed_ratio | 0.911 |
| closed_unmerged_prs | 325 |
Ownership & stewardship
76Good
How it's scored
| 30/30 | Ownership backing — organization-owned |
| 0/20 | Verified domain |
| 21.3/25 | Owner reach — 909 followers of materialsproject |
| 24.8/25 | Track record — 56 public repos, account ~15 yr old |
Inputs used
| followers | 909 |
| owner_type | Organization |
| is_verified | — |
| owner_login | materialsproject |
| public_repos | 56 |
| account_age_days | 5,504 |
Package maintenance
100Excellent
How it's scored
| 25/25 | Published & resolvable — 1 package(s) on pypi |
| 35/35 | Publish recency — latest publish 74 days ago |
| 20/20 | Version history — 411 published versions |
| 20/20 | Not deprecated — active, not deprecated or yanked |
Inputs used
| packages | pymatgen |
| ecosystems | pypi |
| any_deprecated | no |
| min_days_since_publish | 74 |
Engineering Quality
Are baseline engineering and documentation practices in place?
88
Engineering practices
86Excellent
How it's scored
| 24/24 | CI workflows — 4 workflow(s) |
| 24/24 | Tests present |
| 16/16 | Linter config |
| 9.6/9.6 | Pre-commit hooks |
| 6.4/6.4 | .editorconfig |
| 6/20 | OpenSSF Scorecard: CI-Tests — 6 out of 17 merged PRs checked by a CI test -- score normalized to 3 |
Inputs used
| has_ci | yes |
| has_tests | yes |
| has_editorconfig | yes |
| has_linter_config | yes |
| has_precommit_config | yes |
Documentation
90Excellent
How it's scored
| 30/30 | README |
| 25/25 | Documentation directory |
| 15/15 | Documentation / homepage site — https://pymatgen.org |
| 10/10 | Repository description |
| 10/10 | Topics — 5 topics |
| 0/10 | Wiki |
Inputs used
| topics | materials, science, materials-science, materials-informatics, python |
| has_wiki | no |
| homepage | https://pymatgen.org |
| has_readme | yes |
| has_docs_dir | yes |
| has_description | yes |
Security
Are visible security and supply-chain practices strong, without unresolved high-risk jurisdiction exposure?
75
Security posture
75Good
How it's scored
| 7.5/7.5 | Binary-Artifacts — no binaries found in the repo |
| 0/7.5 | Branch-Protection — no data |
| 0.8/2.5 | CI-Tests — 6 out of 17 merged PRs checked by a CI test -- score normalized to 3 |
| 0/2.5 | CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected |
| 2.2/7.5 | Code-Review — Found 8/21 approved changesets -- score normalized to 3 |
| 2.5/2.5 | Contributors — project has 26 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 3 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 |
| 2.5/5 | SAST — SAST tool is not run on all commits -- score normalized to 5 |
| 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 |
Inputs used
| source | openssf_scorecard |
| checks_evaluated | 16 |
| scorecard_version | v5.5.0 |
| checks_inconclusive | 2 |
| scorecard_aggregate | 7.5 |
Excluded from scoring (no data or not applicable): branch_protection, signed_releases. Remaining weights renormalized.
AI Readiness
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.
54
Agent context & guidance
1Critical
How it's scored
| 0/45 | Agent instructions — no CLAUDE.md / AGENTS.md / editor rules |
| 0/15 | Machine-readable docs (llms.txt) |
| 0/40 | Legible commit history — no data |
Inputs used
| has_llms_txt | no |
| legible_history_share | — |
| agent_instruction_files | — |
| agent_instruction_max_bytes | — |
Excluded from scoring (no data or not applicable): Legible commit history. Remaining weights renormalized.
Verify loop (build / test / typecheck)
88Excellent
How it's scored
| 18/18 | One-command bootstrap — docs/Makefile |
| 22/22 | Automated tests |
| 11/11 | Lint / format config |
| 11/11 | Static type checking — src/pymatgen/py.typed |
| 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 |
Inputs used
| has_nix | no |
| has_tests | yes |
| lockfiles | Gemfile.lock, uv.lock |
| has_dockerfile | no |
| typed_language | no |
| bootstrap_files | docs/Makefile |
| has_devcontainer | no |
| has_linter_config | yes |
| typecheck_configs | src/pymatgen/py.typed |
| agent_commit_share | — |
| toolchain_manifests | — |
| dependency_bot_commit_share | — |
Excluded from scoring (no data or not applicable): Demonstrated agent practice, Automated maintenance. Remaining weights renormalized.
How it's scored
| 27/45 | Type-checkable code — Python with type-check config (src/pymatgen/py.typed) |
| 53/55 | Manageable file sizes — 9/249 source files over 60KB |
Inputs used
| primary_language | Python |
| largest_source_bytes | 116,065 |
| source_files_sampled | 249 |
| oversized_source_files | 9 |
Machine-readable interfaces
40At risk
How it's scored
| 0/40 | API schema (OpenAPI/GraphQL/proto) |
| 0/20 | MCP server |
| 40/40 | Runnable examples — examples |
Inputs used
| example_dirs | examples |
| has_mcp_signal | no |
| api_schema_files | — |
Key facts
1,926GitHub stars
100contributors
284commits, last 12 months
1days since last push
100releases
5bus factor
135open issues
PyPI, RubyGemspackage ecosystems
More detail
OpenSSF Scorecard 7.5 / 10
7.5aggregate
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 |
| n/a | Branch-Protection | 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 |
| 3 | CI-Tests | 6 out of 17 merged PRs checked by a CI test -- score normalized to 3 |
| 0 | CII-Best-Practices | no effort to earn an OpenSSF best practices badge detected |
| 3 | Code-Review | Found 8/21 approved changesets -- score normalized to 3 |
| 10 | Contributors | project has 26 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 3 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 |
| 5 | SAST | SAST tool is not run on all commits -- score normalized to 5 |
| 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 |
Direct dependencies 9
| Registry | Package | Version constraint | Manifest |
|---|---|---|---|
| RubyGems | minima | ~> 2.5 | docs/Gemfile |
| RubyGems | github-pages | — | docs/Gemfile |
| RubyGems | jekyll-feed | ~> 0.12 | docs/Gemfile |
| RubyGems | tzinfo | >= 1 | docs/Gemfile |
| RubyGems | tzinfo-data | — | docs/Gemfile |
| RubyGems | wdm | ~> 0.1.1 | docs/Gemfile |
| RubyGems | http_parser.rb | ~> 0.6.0 | docs/Gemfile |
| RubyGems | webrick | ~> 1.8 | docs/Gemfile |
| PyPI | pymatgen-core | >=2026.7.16 | pyproject.toml |
All dependencies 353
Full resolved dependency set from the GitHub dependency graph: 7 direct and 346 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.
| Registry | Package | Version | Relation |
|---|---|---|---|
| PyPI | pymatgen-core | 2026.7.16 | direct |
| RubyGems | github-pages | 228 | direct |
| RubyGems | http_parser.rb | 0.8.0 | direct |
| RubyGems | jekyll-feed | 0.15.1 | direct |
| RubyGems | minima | 2.5.1 | direct |
| RubyGems | tzinfo | 2.0.6 | direct |
| RubyGems | webrick | 1.8.2 | direct |
| PyPI | aiohappyeyeballs | 2.7.1 | indirect |
| PyPI | aiohttp | 3.14.1 | indirect |
| PyPI | aiosignal | 1.4.0 | indirect |
| PyPI | alabaster | 1.0.0 | indirect |
| PyPI | annotated-types | 0.7.0 | indirect |
| PyPI | anyio | 4.14.2 | indirect |
| PyPI | appnope | 0.1.4 | indirect |
| PyPI | argon2-cffi | 25.1.0 | indirect |
| PyPI | argon2-cffi-bindings | 25.1.0 | indirect |
| PyPI | arrow | 1.4.0 | indirect |
| PyPI | ase | 3.29.0 | indirect |
| PyPI | ast-serialize | 0.6.0 | indirect |
| PyPI | asttokens | 3.0.2 | indirect |
| PyPI | async-lru | 2.3.0 | indirect |
| PyPI | attrs | 26.1.0 | indirect |
| PyPI | babel | 2.18.0 | indirect |
| PyPI | beautifulsoup4 | 4.15.0 | indirect |
| PyPI | bibtexparser | 1.4.4 | indirect |
| PyPI | bleach | 6.4.0 | indirect |
| PyPI | boto3 | 1.43.49 | indirect |
| PyPI | botocore | 1.43.49 | 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 | chemview | 0.6 | indirect |
| PyPI | click | 8.4.2 | indirect |
| PyPI | colorama | 0.4.6 | indirect |
| PyPI | comm | 0.2.3 | indirect |
| PyPI | contourpy | 1.3.3 | indirect |
| PyPI | coverage | 7.15.2 | 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 | debugpy | 1.8.21 | indirect |
| PyPI | decorator | 5.3.1 | indirect |
| PyPI | defusedxml | 0.7.1 | indirect |
| PyPI | distlib | 0.4.3 | indirect |
| PyPI | distro | 1.9.0 | indirect |
| PyPI | docutils | 0.22.4 | indirect |
| PyPI | execnet | 2.1.2 | indirect |
| PyPI | executing | 2.2.1 | indirect |
| PyPI | f90nml | 1.5 | indirect |
| PyPI | fastjsonschema | 2.21.2 | indirect |
| PyPI | filelock | 3.29.7 | indirect |
| PyPI | fonttools | 4.63.0 | indirect |
| PyPI | fqdn | 1.5.1 | indirect |
| PyPI | frozenlist | 1.8.0 | indirect |
| PyPI | fsspec | 2026.6.0 | indirect |
| PyPI | galore | 0.9.2 | 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 | imagesize | 2.0.0 | indirect |
| PyPI | importlib-metadata | 9.0.0 | indirect |
| PyPI | iniconfig | 2.3.0 | indirect |
| PyPI | invoke | 3.0.3 | indirect |
| PyPI | ipykernel | 7.3.0 | indirect |
| PyPI | ipython | 9.15.0 | indirect |
| PyPI | ipython-pygments-lexers | 1.1.1 | indirect |
| PyPI | isoduration | 20.11.0 | indirect |
| PyPI | jarvis-tools | 2026.6.12 | indirect |
| PyPI | jedi | 0.20.0 | indirect |
| PyPI | jinja2 | 3.1.6 | indirect |
| PyPI | jiter | 0.16.0 | indirect |
| PyPI | jmespath | 1.1.0 | indirect |
| PyPI | joblib | 1.5.3 | indirect |
| PyPI | json5 | 0.15.0 | indirect |
| PyPI | jsonpointer | 3.1.1 | indirect |
| PyPI | jsonschema | 4.26.0 | indirect |
| PyPI | jsonschema-specifications | 2025.9.1 | indirect |
| PyPI | jupyter-builder | 1.1.0 | indirect |
| PyPI | jupyter-client | 8.9.1 | indirect |
| PyPI | jupyter-core | 5.9.1 | indirect |
| PyPI | jupyter-events | 0.12.1 | indirect |
| PyPI | jupyter-lsp | 2.3.1 | indirect |
| PyPI | jupyter-server | 2.20.0 | indirect |
| PyPI | jupyter-server-terminals | 0.5.4 | indirect |
| PyPI | jupyterlab | 4.6.1 | indirect |
| PyPI | jupyterlab-pygments | 0.3.0 | indirect |
| PyPI | jupyterlab-server | 2.28.0 | indirect |
| PyPI | kiwisolver | 1.5.0 | indirect |
| PyPI | lark | 1.3.1 | 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 | lxml | 6.1.1 | indirect |
| PyPI | markupsafe | 3.0.3 | indirect |
| PyPI | matcalc | 0.5.1 | indirect |
| PyPI | matgl | 4.0.3 | indirect |
| PyPI | matplotlib | 3.11.0 | indirect |
| PyPI | matplotlib-inline | 0.2.2 | indirect |
| PyPI | mistune | 3.3.3 | indirect |
| PyPI | monty | 2026.7.16 | indirect |
| PyPI | moyopy | 0.15.0 | indirect |
| PyPI | mpmath | 1.3.0 | indirect |
| PyPI | multidict | 6.7.1 | indirect |
| PyPI | mypy | 2.3.0 | indirect |
| PyPI | mypy-extensions | 1.1.0 | indirect |
| PyPI | narwhals | 2.24.0 | indirect |
| PyPI | nbclient | 0.11.0 | indirect |
| PyPI | nbconvert | 7.17.1 | indirect |
| PyPI | nbformat | 5.10.4 | indirect |
| PyPI | nest-asyncio2 | 1.7.2 | indirect |
| PyPI | netcdf4 | 1.7.3 | indirect |
| PyPI | netcdf4 | 1.7.4 | indirect |
| PyPI | networkx | 3.6.1 | indirect |
| PyPI | nodeenv | 1.10.0 | indirect |
| PyPI | notebook | 7.6.0 | indirect |
| PyPI | notebook-shim | 0.2.4 | indirect |
| PyPI | numba | 0.66.0 | indirect |
| PyPI | numpy | 1.26.4 | indirect |
| PyPI | numpy | 2.4.6 | 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 | orjson | 3.11.9 | indirect |
| PyPI | overrides | 7.7.0 | indirect |
| PyPI | packaging | 26.2 | indirect |
| PyPI | palettable | 3.3.3 | indirect |
| PyPI | pandas | 3.0.3 | indirect |
| PyPI | pandocfilters | 1.5.1 | indirect |
| PyPI | parso | 0.8.7 | indirect |
| PyPI | pathspec | 1.1.1 | indirect |
| PyPI | pexpect | 4.9.0 | 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 | plotly | 6.9.0 | indirect |
| PyPI | pluggy | 1.6.0 | indirect |
| PyPI | pre-commit | 4.6.0 | indirect |
| PyPI | prometheus-client | 0.25.0 | indirect |
| PyPI | prompt-toolkit | 3.0.52 | indirect |
| PyPI | propcache | 0.5.2 | indirect |
| PyPI | psutil | 7.2.2 | indirect |
| PyPI | ptyprocess | 0.7.0 | indirect |
| PyPI | pure-eval | 0.2.3 | 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 | 2026.7.16 | indirect |
| PyPI | pymatgen-analysis-alloys | 0.0.9 | indirect |
| PyPI | pyocse | 0.1.3 | 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 | python-json-logger | 4.1.0 | indirect |
| PyPI | pytorch-lightning | 2.6.5 | indirect |
| PyPI | pywinpty | 3.0.5 | indirect |
| PyPI | pyxtal | 1.1.4 | indirect |
| PyPI | pyyaml | 6.0.3 | indirect |
| PyPI | pyzeo | 0.2.0 | indirect |
| PyPI | pyzmq | 27.1.0 | indirect |
| PyPI | referencing | 0.37.0 | indirect |
| PyPI | requests | 2.34.2 | indirect |
| PyPI | rfc3339-validator | 0.1.4 | indirect |
| PyPI | rfc3986-validator | 0.1.1 | indirect |
| PyPI | rfc3987-syntax | 1.1.0 | indirect |
| PyPI | roman-numerals | 4.1.0 | indirect |
| PyPI | rpds-py | 2026.6.3 | 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 | scipy | 1.17.1 | indirect |
| PyPI | scipy | 1.18.0 | indirect |
| PyPI | seekpath | 2.2.1 | indirect |
| PyPI | send2trash | 2.1.0 | indirect |
| PyPI | setuptools | 83.0.0 | indirect |
| PyPI | shapely | 2.1.2 | indirect |
| PyPI | six | 1.17.0 | indirect |
| PyPI | sniffio | 1.3.1 | indirect |
| PyPI | snowballstemmer | 3.1.1 | indirect |
| PyPI | soupsieve | 2.8.4 | indirect |
| PyPI | spglib | 2.7.0 | indirect |
| PyPI | sphinx | 9.0.4 | indirect |
| PyPI | sphinx | 9.1.0 | indirect |
| PyPI | sphinx-markdown-builder | 0.6.10 | indirect |
| PyPI | sphinx-rtd-theme | 3.1.0 | indirect |
| PyPI | sphinxcontrib-applehelp | 2.0.0 | indirect |
| PyPI | sphinxcontrib-devhelp | 2.0.0 | indirect |
| PyPI | sphinxcontrib-htmlhelp | 2.1.0 | indirect |
| PyPI | sphinxcontrib-jquery | 4.1 | indirect |
| PyPI | sphinxcontrib-jsmath | 1.0.1 | indirect |
| PyPI | sphinxcontrib-qthelp | 2.0.0 | indirect |
| PyPI | sphinxcontrib-serializinghtml | 2.0.0 | indirect |
| PyPI | stack-data | 0.6.3 | indirect |
| PyPI | symfc | 1.7.3 | indirect |
| PyPI | sympy | 1.14.0 | indirect |
| PyPI | tabulate | 0.10.0 | indirect |
| PyPI | tblite | 0.7.0 | indirect |
| PyPI | terminado | 0.18.1 | indirect |
| PyPI | threadpoolctl | 3.6.0 | indirect |
| PyPI | tinycss2 | 1.5.1 | indirect |
| PyPI | toml | 0.10.2 | indirect |
| PyPI | tomli | 2.4.1 | indirect |
| PyPI | toolz | 1.1.0 | 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 | tornado | 6.5.7 | indirect |
| PyPI | tqdm | 4.68.4 | indirect |
| PyPI | trainstation | 1.2 | indirect |
| PyPI | traitlets | 5.15.1 | 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 | uncertainties | 3.2.3 | indirect |
| PyPI | uri-template | 1.3.0 | indirect |
| PyPI | urllib3 | 2.7.0 | indirect |
| PyPI | vapory | 0.1.2 | indirect |
| PyPI | vasprun-xml | 1.0.4 | indirect |
| PyPI | virtualenv | 21.6.1 | indirect |
| PyPI | vtk | 9.6.2 | indirect |
| PyPI | wcwidth | 0.8.2 | indirect |
| PyPI | webcolors | 25.10.0 | indirect |
| PyPI | webencodings | 0.5.1 | indirect |
| PyPI | websocket-client | 1.9.0 | indirect |
| PyPI | xmltodict | 1.0.4 | indirect |
| PyPI | xxhash | 3.8.1 | indirect |
| PyPI | yarl | 1.24.2 | indirect |
| PyPI | zipp | 4.1.0 | indirect |
| RubyGems | activesupport | 7.2.3.1 | indirect |
| RubyGems | addressable | 2.9.0 | indirect |
| RubyGems | base64 | 0.3.0 | indirect |
| RubyGems | benchmark | 0.5.0 | indirect |
| RubyGems | bigdecimal | 4.0.1 | indirect |
| RubyGems | coffee-script | 2.4.1 | indirect |
| RubyGems | coffee-script-source | 1.11.1 | indirect |
| RubyGems | colorator | 1.1.0 | indirect |
| RubyGems | commonmarker | 0.23.10 | indirect |
| RubyGems | concurrent-ruby | 1.3.7 | indirect |
| RubyGems | connection_pool | 3.0.2 | indirect |
| RubyGems | dnsruby | 1.70.0 | indirect |
| RubyGems | drb | 2.2.3 | indirect |
| RubyGems | em-websocket | 0.5.3 | indirect |
| RubyGems | ethon | 0.16.0 | indirect |
| RubyGems | eventmachine | 1.2.7 | indirect |
| RubyGems | execjs | 2.8.1 | indirect |
| RubyGems | faraday | 2.14.3 | indirect |
| RubyGems | faraday-net_http | 3.4.4 | indirect |
| RubyGems | ffi | 1.15.5 | indirect |
| RubyGems | forwardable-extended | 2.6.0 | indirect |
| RubyGems | gemoji | 3.0.1 | indirect |
| RubyGems | github-pages-health-check | 1.17.9 | indirect |
| RubyGems | html-pipeline | 2.14.3 | indirect |
| RubyGems | i18n | 1.14.8 | indirect |
| RubyGems | jekyll | 3.9.3 | indirect |
| RubyGems | jekyll-avatar | 0.7.0 | indirect |
| RubyGems | jekyll-coffeescript | 1.1.1 | indirect |
| RubyGems | jekyll-commonmark | 1.4.0 | indirect |
| RubyGems | jekyll-commonmark-ghpages | 0.4.0 | indirect |
| RubyGems | jekyll-default-layout | 0.1.4 | indirect |
| RubyGems | jekyll-gist | 1.5.0 | indirect |
| RubyGems | jekyll-github-metadata | 2.13.0 | indirect |
| RubyGems | jekyll-include-cache | 0.2.1 | indirect |
| RubyGems | jekyll-mentions | 1.6.0 | indirect |
| RubyGems | jekyll-optional-front-matter | 0.3.2 | indirect |
| RubyGems | jekyll-paginate | 1.1.0 | indirect |
| RubyGems | jekyll-readme-index | 0.3.0 | indirect |
| RubyGems | jekyll-redirect-from | 0.16.0 | indirect |
| RubyGems | jekyll-relative-links | 0.6.1 | indirect |
| RubyGems | jekyll-remote-theme | 0.4.3 | indirect |
| RubyGems | jekyll-sass-converter | 1.5.2 | indirect |
| RubyGems | jekyll-seo-tag | 2.8.0 | indirect |
| RubyGems | jekyll-sitemap | 1.4.0 | indirect |
| RubyGems | jekyll-swiss | 1.0.0 | indirect |
| RubyGems | jekyll-theme-architect | 0.2.0 | indirect |
| RubyGems | jekyll-theme-cayman | 0.2.0 | indirect |
| RubyGems | jekyll-theme-dinky | 0.2.0 | indirect |
| RubyGems | jekyll-theme-hacker | 0.2.0 | indirect |
| RubyGems | jekyll-theme-leap-day | 0.2.0 | indirect |
| RubyGems | jekyll-theme-merlot | 0.2.0 | indirect |
| RubyGems | jekyll-theme-midnight | 0.2.0 | indirect |
| RubyGems | jekyll-theme-minimal | 0.2.0 | indirect |
| RubyGems | jekyll-theme-modernist | 0.2.0 | indirect |
| RubyGems | jekyll-theme-primer | 0.6.0 | indirect |
| RubyGems | jekyll-theme-slate | 0.2.0 | indirect |
| RubyGems | jekyll-theme-tactile | 0.2.0 | indirect |
| RubyGems | jekyll-theme-time-machine | 0.2.0 | indirect |
| RubyGems | jekyll-titles-from-headings | 0.5.3 | indirect |
| RubyGems | jekyll-watch | 2.2.1 | indirect |
| RubyGems | jemoji | 0.12.0 | indirect |
| RubyGems | json | 2.20.0 | indirect |
| RubyGems | kramdown | 2.3.2 | indirect |
| RubyGems | kramdown-parser-gfm | 1.1.0 | indirect |
| RubyGems | liquid | 4.0.4 | indirect |
| RubyGems | listen | 3.8.0 | indirect |
| RubyGems | logger | 1.7.0 | indirect |
| RubyGems | mercenary | 0.3.6 | indirect |
| RubyGems | minitest | 5.27.0 | indirect |
| RubyGems | net-http | 0.9.1 | indirect |
| RubyGems | nokogiri | 1.19.4 | indirect |
| RubyGems | octokit | 4.25.1 | indirect |
| RubyGems | pathutil | 0.16.2 | indirect |
| RubyGems | public_suffix | 4.0.7 | indirect |
| RubyGems | racc | 1.8.1 | indirect |
| RubyGems | rb-fsevent | 0.11.2 | indirect |
| RubyGems | rb-inotify | 0.10.1 | indirect |
| RubyGems | rexml | 3.4.2 | indirect |
| RubyGems | rouge | 3.26.0 | indirect |
| RubyGems | rubyzip | 2.3.2 | indirect |
| RubyGems | safe_yaml | 1.0.5 | indirect |
| RubyGems | sass | 3.7.4 | indirect |
| RubyGems | sass-listen | 4.0.0 | indirect |
| RubyGems | sawyer | 0.9.2 | indirect |
| RubyGems | securerandom | 0.4.1 | indirect |
| RubyGems | simpleidn | 0.2.1 | indirect |
| RubyGems | terminal-table | 1.8.0 | indirect |
| RubyGems | typhoeus | 1.4.0 | indirect |
| RubyGems | unf | 0.1.4 | indirect |
| RubyGems | unf_ext | 0.0.8.2 | indirect |
| RubyGems | unicode-display_width | 1.8.0 | indirect |
| RubyGems | uri | 1.1.1 | indirect |
Raw JSON report machine-readable
{
"data": {
"repo": {
"topics": [
"materials",
"science",
"materials-science",
"materials-informatics",
"python"
],
"is_fork": false,
"size_kb": 981425,
"has_wiki": false,
"homepage": "https://pymatgen.org",
"languages": {
"AL": 227092,
"Polar": 432395,
"Python": 2566297,
"Propeller Spin": 2006
},
"pushed_at": "2026-07-17T02:53:28Z",
"created_at": "2011-10-23T04:10:39Z",
"owner_type": "Organization",
"updated_at": "2026-07-18T12:14:29Z",
"description": "Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.",
"is_archived": false,
"is_disabled": false,
"license_spdx": null,
"default_branch": "main",
"primary_language": "Python",
"significant_languages": [
"Python",
"Polar"
]
},
"owner": {
"blog": "https://www.materialsproject.org",
"name": "Materials Project",
"type": "Organization",
"login": "materialsproject",
"company": null,
"location": "1 Cyclotron Rd, Berkeley CA 94720",
"followers": 909,
"avatar_url": "https://avatars.githubusercontent.com/u/867057?v=4",
"created_at": "2011-06-22T14:43:02Z",
"is_verified": null,
"public_repos": 56,
"account_age_days": 5504
},
"activity": {
"releases_count": 100,
"commits_last_year": 284,
"latest_release_at": "2026-05-04T21:53:30Z",
"latest_release_tag": "v2026.5.4",
"releases_from_tags": false,
"days_since_last_push": 1,
"active_weeks_last_year": 32,
"days_since_latest_release": 74,
"mean_days_between_releases": 42.2
},
"community": {
"has_readme": true,
"has_license": true,
"has_description": true,
"has_contributing": true,
"health_percentage": 87,
"has_issue_template": false,
"has_code_of_conduct": true,
"has_pull_request_template": true
},
"ecosystem": {
"packages": [
{
"name": "pymatgen",
"exists": true,
"license": "MIT",
"keywords": [
"ABINIT",
"VASP",
"analysis",
"crystal",
"diagrams",
"electronic",
"gaussian",
"materials",
"nwchem",
"phase",
"project",
"qchem",
"science",
"structure",
"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/",
"is_deprecated": false,
"latest_version": "2026.5.4",
"repository_url": "https://github.com/materialsproject/pymatgen",
"versions_count": 411,
"total_downloads": null,
"dependents_count": null,
"deprecation_note": null,
"maintainers_count": null,
"monthly_downloads": 763367,
"first_published_at": "2011-11-12T22:06:27.068856Z",
"latest_published_at": "2026-05-04T22:03:24.675953Z",
"latest_version_yanked": null,
"days_since_latest_publish": 74
}
]
},
"popularity": {
"forks": 959,
"stars": 1926,
"watchers": 109,
"open_issues_and_prs": 135
},
"ai_readiness": {
"has_nix": false,
"example_dirs": [
"examples"
],
"has_llms_txt": false,
"has_dockerfile": false,
"has_mcp_signal": false,
"bootstrap_files": [
"docs/Makefile"
],
"api_schema_files": [],
"has_devcontainer": false,
"typecheck_configs": [
"src/pymatgen/py.typed"
],
"largest_source_bytes": 116065,
"source_files_sampled": 249,
"oversized_source_files": 9,
"agent_instruction_files": [],
"agent_instruction_max_bytes": null
},
"dependencies": {
"manifests": [
"docs/Gemfile",
"pyproject.toml"
],
"ecosystems": [
"pypi",
"rubygems"
],
"dependencies": [
{
"name": "minima",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": "~> 2.5"
},
{
"name": "github-pages",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": null
},
{
"name": "jekyll-feed",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": "~> 0.12"
},
{
"name": "tzinfo",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": ">= 1"
},
{
"name": "tzinfo-data",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": null
},
{
"name": "wdm",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": "~> 0.1.1"
},
{
"name": "http_parser.rb",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": "~> 0.6.0"
},
{
"name": "webrick",
"manifest": "docs/Gemfile",
"ecosystem": "rubygems",
"version_constraint": "~> 1.8"
},
{
"name": "pymatgen-core",
"manifest": "pyproject.toml",
"ecosystem": "pypi",
"version_constraint": ">=2026.7.16"
}
],
"all_dependencies": {
"error": null,
"source": "github-sbom",
"packages": [
{
"name": "pymatgen-core",
"direct": true,
"version": "2026.7.16",
"ecosystem": "pypi"
},
{
"name": "github-pages",
"direct": true,
"version": "228",
"ecosystem": "rubygems"
},
{
"name": "http_parser.rb",
"direct": true,
"version": "0.8.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-feed",
"direct": true,
"version": "0.15.1",
"ecosystem": "rubygems"
},
{
"name": "minima",
"direct": true,
"version": "2.5.1",
"ecosystem": "rubygems"
},
{
"name": "tzinfo",
"direct": true,
"version": "2.0.6",
"ecosystem": "rubygems"
},
{
"name": "webrick",
"direct": true,
"version": "1.8.2",
"ecosystem": "rubygems"
},
{
"name": "aiohappyeyeballs",
"direct": false,
"version": "2.7.1",
"ecosystem": "pypi"
},
{
"name": "aiohttp",
"direct": false,
"version": "3.14.1",
"ecosystem": "pypi"
},
{
"name": "aiosignal",
"direct": false,
"version": "1.4.0",
"ecosystem": "pypi"
},
{
"name": "alabaster",
"direct": false,
"version": "1.0.0",
"ecosystem": "pypi"
},
{
"name": "annotated-types",
"direct": false,
"version": "0.7.0",
"ecosystem": "pypi"
},
{
"name": "anyio",
"direct": false,
"version": "4.14.2",
"ecosystem": "pypi"
},
{
"name": "appnope",
"direct": false,
"version": "0.1.4",
"ecosystem": "pypi"
},
{
"name": "argon2-cffi",
"direct": false,
"version": "25.1.0",
"ecosystem": "pypi"
},
{
"name": "argon2-cffi-bindings",
"direct": false,
"version": "25.1.0",
"ecosystem": "pypi"
},
{
"name": "arrow",
"direct": false,
"version": "1.4.0",
"ecosystem": "pypi"
},
{
"name": "ase",
"direct": false,
"version": "3.29.0",
"ecosystem": "pypi"
},
{
"name": "ast-serialize",
"direct": false,
"version": "0.6.0",
"ecosystem": "pypi"
},
{
"name": "asttokens",
"direct": false,
"version": "3.0.2",
"ecosystem": "pypi"
},
{
"name": "async-lru",
"direct": false,
"version": "2.3.0",
"ecosystem": "pypi"
},
{
"name": "attrs",
"direct": false,
"version": "26.1.0",
"ecosystem": "pypi"
},
{
"name": "babel",
"direct": false,
"version": "2.18.0",
"ecosystem": "pypi"
},
{
"name": "beautifulsoup4",
"direct": false,
"version": "4.15.0",
"ecosystem": "pypi"
},
{
"name": "bibtexparser",
"direct": false,
"version": "1.4.4",
"ecosystem": "pypi"
},
{
"name": "bleach",
"direct": false,
"version": "6.4.0",
"ecosystem": "pypi"
},
{
"name": "boto3",
"direct": false,
"version": "1.43.49",
"ecosystem": "pypi"
},
{
"name": "botocore",
"direct": false,
"version": "1.43.49",
"ecosystem": "pypi"
},
{
"name": "certifi",
"direct": false,
"version": "2026.6.17",
"ecosystem": "pypi"
},
{
"name": "cffi",
"direct": false,
"version": "2.1.0",
"ecosystem": "pypi"
},
{
"name": "cfgv",
"direct": false,
"version": "3.5.0",
"ecosystem": "pypi"
},
{
"name": "cftime",
"direct": false,
"version": "1.6.5",
"ecosystem": "pypi"
},
{
"name": "charset-normalizer",
"direct": false,
"version": "3.4.9",
"ecosystem": "pypi"
},
{
"name": "chemview",
"direct": false,
"version": "0.6",
"ecosystem": "pypi"
},
{
"name": "click",
"direct": false,
"version": "8.4.2",
"ecosystem": "pypi"
},
{
"name": "colorama",
"direct": false,
"version": "0.4.6",
"ecosystem": "pypi"
},
{
"name": "comm",
"direct": false,
"version": "0.2.3",
"ecosystem": "pypi"
},
{
"name": "contourpy",
"direct": false,
"version": "1.3.3",
"ecosystem": "pypi"
},
{
"name": "coverage",
"direct": false,
"version": "7.15.2",
"ecosystem": "pypi"
},
{
"name": "cuda-bindings",
"direct": false,
"version": "13.3.1",
"ecosystem": "pypi"
},
{
"name": "cuda-pathfinder",
"direct": false,
"version": "1.5.6",
"ecosystem": "pypi"
},
{
"name": "cuda-toolkit",
"direct": false,
"version": "13.0.3.0",
"ecosystem": "pypi"
},
{
"name": "cycler",
"direct": false,
"version": "0.12.1",
"ecosystem": "pypi"
},
{
"name": "debugpy",
"direct": false,
"version": "1.8.21",
"ecosystem": "pypi"
},
{
"name": "decorator",
"direct": false,
"version": "5.3.1",
"ecosystem": "pypi"
},
{
"name": "defusedxml",
"direct": false,
"version": "0.7.1",
"ecosystem": "pypi"
},
{
"name": "distlib",
"direct": false,
"version": "0.4.3",
"ecosystem": "pypi"
},
{
"name": "distro",
"direct": false,
"version": "1.9.0",
"ecosystem": "pypi"
},
{
"name": "docutils",
"direct": false,
"version": "0.22.4",
"ecosystem": "pypi"
},
{
"name": "execnet",
"direct": false,
"version": "2.1.2",
"ecosystem": "pypi"
},
{
"name": "executing",
"direct": false,
"version": "2.2.1",
"ecosystem": "pypi"
},
{
"name": "f90nml",
"direct": false,
"version": "1.5",
"ecosystem": "pypi"
},
{
"name": "fastjsonschema",
"direct": false,
"version": "2.21.2",
"ecosystem": "pypi"
},
{
"name": "filelock",
"direct": false,
"version": "3.29.7",
"ecosystem": "pypi"
},
{
"name": "fonttools",
"direct": false,
"version": "4.63.0",
"ecosystem": "pypi"
},
{
"name": "fqdn",
"direct": false,
"version": "1.5.1",
"ecosystem": "pypi"
},
{
"name": "frozenlist",
"direct": false,
"version": "1.8.0",
"ecosystem": "pypi"
},
{
"name": "fsspec",
"direct": false,
"version": "2026.6.0",
"ecosystem": "pypi"
},
{
"name": "galore",
"direct": false,
"version": "0.9.2",
"ecosystem": "pypi"
},
{
"name": "h11",
"direct": false,
"version": "0.16.0",
"ecosystem": "pypi"
},
{
"name": "h5py",
"direct": false,
"version": "3.16.0",
"ecosystem": "pypi"
},
{
"name": "hf-xet",
"direct": false,
"version": "1.5.1",
"ecosystem": "pypi"
},
{
"name": "hiphive",
"direct": false,
"version": "1.5",
"ecosystem": "pypi"
},
{
"name": "httpcore",
"direct": false,
"version": "1.0.9",
"ecosystem": "pypi"
},
{
"name": "httpx",
"direct": false,
"version": "0.28.1",
"ecosystem": "pypi"
},
{
"name": "huggingface-hub",
"direct": false,
"version": "1.23.0",
"ecosystem": "pypi"
},
{
"name": "identify",
"direct": false,
"version": "2.6.19",
"ecosystem": "pypi"
},
{
"name": "idna",
"direct": false,
"version": "3.18",
"ecosystem": "pypi"
},
{
"name": "imagesize",
"direct": false,
"version": "2.0.0",
"ecosystem": "pypi"
},
{
"name": "importlib-metadata",
"direct": false,
"version": "9.0.0",
"ecosystem": "pypi"
},
{
"name": "iniconfig",
"direct": false,
"version": "2.3.0",
"ecosystem": "pypi"
},
{
"name": "invoke",
"direct": false,
"version": "3.0.3",
"ecosystem": "pypi"
},
{
"name": "ipykernel",
"direct": false,
"version": "7.3.0",
"ecosystem": "pypi"
},
{
"name": "ipython",
"direct": false,
"version": "9.15.0",
"ecosystem": "pypi"
},
{
"name": "ipython-pygments-lexers",
"direct": false,
"version": "1.1.1",
"ecosystem": "pypi"
},
{
"name": "isoduration",
"direct": false,
"version": "20.11.0",
"ecosystem": "pypi"
},
{
"name": "jarvis-tools",
"direct": false,
"version": "2026.6.12",
"ecosystem": "pypi"
},
{
"name": "jedi",
"direct": false,
"version": "0.20.0",
"ecosystem": "pypi"
},
{
"name": "jinja2",
"direct": false,
"version": "3.1.6",
"ecosystem": "pypi"
},
{
"name": "jiter",
"direct": false,
"version": "0.16.0",
"ecosystem": "pypi"
},
{
"name": "jmespath",
"direct": false,
"version": "1.1.0",
"ecosystem": "pypi"
},
{
"name": "joblib",
"direct": false,
"version": "1.5.3",
"ecosystem": "pypi"
},
{
"name": "json5",
"direct": false,
"version": "0.15.0",
"ecosystem": "pypi"
},
{
"name": "jsonpointer",
"direct": false,
"version": "3.1.1",
"ecosystem": "pypi"
},
{
"name": "jsonschema",
"direct": false,
"version": "4.26.0",
"ecosystem": "pypi"
},
{
"name": "jsonschema-specifications",
"direct": false,
"version": "2025.9.1",
"ecosystem": "pypi"
},
{
"name": "jupyter-builder",
"direct": false,
"version": "1.1.0",
"ecosystem": "pypi"
},
{
"name": "jupyter-client",
"direct": false,
"version": "8.9.1",
"ecosystem": "pypi"
},
{
"name": "jupyter-core",
"direct": false,
"version": "5.9.1",
"ecosystem": "pypi"
},
{
"name": "jupyter-events",
"direct": false,
"version": "0.12.1",
"ecosystem": "pypi"
},
{
"name": "jupyter-lsp",
"direct": false,
"version": "2.3.1",
"ecosystem": "pypi"
},
{
"name": "jupyter-server",
"direct": false,
"version": "2.20.0",
"ecosystem": "pypi"
},
{
"name": "jupyter-server-terminals",
"direct": false,
"version": "0.5.4",
"ecosystem": "pypi"
},
{
"name": "jupyterlab",
"direct": false,
"version": "4.6.1",
"ecosystem": "pypi"
},
{
"name": "jupyterlab-pygments",
"direct": false,
"version": "0.3.0",
"ecosystem": "pypi"
},
{
"name": "jupyterlab-server",
"direct": false,
"version": "2.28.0",
"ecosystem": "pypi"
},
{
"name": "kiwisolver",
"direct": false,
"version": "1.5.0",
"ecosystem": "pypi"
},
{
"name": "lark",
"direct": false,
"version": "1.3.1",
"ecosystem": "pypi"
},
{
"name": "librt",
"direct": false,
"version": "0.13.0",
"ecosystem": "pypi"
},
{
"name": "lightning",
"direct": false,
"version": "2.6.1",
"ecosystem": "pypi"
},
{
"name": "lightning-utilities",
"direct": false,
"version": "0.15.3",
"ecosystem": "pypi"
},
{
"name": "llvmlite",
"direct": false,
"version": "0.48.0",
"ecosystem": "pypi"
},
{
"name": "lxml",
"direct": false,
"version": "6.1.1",
"ecosystem": "pypi"
},
{
"name": "markupsafe",
"direct": false,
"version": "3.0.3",
"ecosystem": "pypi"
},
{
"name": "matcalc",
"direct": false,
"version": "0.5.1",
"ecosystem": "pypi"
},
{
"name": "matgl",
"direct": false,
"version": "4.0.3",
"ecosystem": "pypi"
},
{
"name": "matplotlib",
"direct": false,
"version": "3.11.0",
"ecosystem": "pypi"
},
{
"name": "matplotlib-inline",
"direct": false,
"version": "0.2.2",
"ecosystem": "pypi"
},
{
"name": "mistune",
"direct": false,
"version": "3.3.3",
"ecosystem": "pypi"
},
{
"name": "monty",
"direct": false,
"version": "2026.7.16",
"ecosystem": "pypi"
},
{
"name": "moyopy",
"direct": false,
"version": "0.15.0",
"ecosystem": "pypi"
},
{
"name": "mpmath",
"direct": false,
"version": "1.3.0",
"ecosystem": "pypi"
},
{
"name": "multidict",
"direct": false,
"version": "6.7.1",
"ecosystem": "pypi"
},
{
"name": "mypy",
"direct": false,
"version": "2.3.0",
"ecosystem": "pypi"
},
{
"name": "mypy-extensions",
"direct": false,
"version": "1.1.0",
"ecosystem": "pypi"
},
{
"name": "narwhals",
"direct": false,
"version": "2.24.0",
"ecosystem": "pypi"
},
{
"name": "nbclient",
"direct": false,
"version": "0.11.0",
"ecosystem": "pypi"
},
{
"name": "nbconvert",
"direct": false,
"version": "7.17.1",
"ecosystem": "pypi"
},
{
"name": "nbformat",
"direct": false,
"version": "5.10.4",
"ecosystem": "pypi"
},
{
"name": "nest-asyncio2",
"direct": false,
"version": "1.7.2",
"ecosystem": "pypi"
},
{
"name": "netcdf4",
"direct": false,
"version": "1.7.3",
"ecosystem": "pypi"
},
{
"name": "netcdf4",
"direct": false,
"version": "1.7.4",
"ecosystem": "pypi"
},
{
"name": "networkx",
"direct": false,
"version": "3.6.1",
"ecosystem": "pypi"
},
{
"name": "nodeenv",
"direct": false,
"version": "1.10.0",
"ecosystem": "pypi"
},
{
"name": "notebook",
"direct": false,
"version": "7.6.0",
"ecosystem": "pypi"
},
{
"name": "notebook-shim",
"direct": false,
"version": "0.2.4",
"ecosystem": "pypi"
},
{
"name": "numba",
"direct": false,
"version": "0.66.0",
"ecosystem": "pypi"
},
{
"name": "numpy",
"direct": false,
"version": "1.26.4",
"ecosystem": "pypi"
},
{
"name": "numpy",
"direct": false,
"version": "2.4.6",
"ecosystem": "pypi"
},
{
"name": "nvidia-cublas",
"direct": false,
"version": "13.1.1.3",
"ecosystem": "pypi"
},
{
"name": "nvidia-cuda-cupti",
"direct": false,
"version": "13.0.85",
"ecosystem": "pypi"
},
{
"name": "nvidia-cuda-nvrtc",
"direct": false,
"version": "13.0.88",
"ecosystem": "pypi"
},
{
"name": "nvidia-cuda-runtime",
"direct": false,
"version": "13.0.96",
"ecosystem": "pypi"
},
{
"name": "nvidia-cudnn-cu13",
"direct": false,
"version": "9.20.0.48",
"ecosystem": "pypi"
},
{
"name": "nvidia-cufft",
"direct": false,
"version": "12.0.0.61",
"ecosystem": "pypi"
},
{
"name": "nvidia-cufile",
"direct": false,
"version": "1.15.1.6",
"ecosystem": "pypi"
},
{
"name": "nvidia-curand",
"direct": false,
"version": "10.4.0.35",
"ecosystem": "pypi"
},
{
"name": "nvidia-cusolver",
"direct": false,
"version": "12.0.4.66",
"ecosystem": "pypi"
},
{
"name": "nvidia-cusparse",
"direct": false,
"version": "12.6.3.3",
"ecosystem": "pypi"
},
{
"name": "nvidia-cusparselt-cu13",
"direct": false,
"version": "0.8.1",
"ecosystem": "pypi"
},
{
"name": "nvidia-nccl-cu13",
"direct": false,
"version": "2.29.7",
"ecosystem": "pypi"
},
{
"name": "nvidia-nvjitlink",
"direct": false,
"version": "13.3.33",
"ecosystem": "pypi"
},
{
"name": "nvidia-nvshmem-cu13",
"direct": false,
"version": "3.4.5",
"ecosystem": "pypi"
},
{
"name": "nvidia-nvtx",
"direct": false,
"version": "13.0.85",
"ecosystem": "pypi"
},
{
"name": "openai",
"direct": false,
"version": "2.45.0",
"ecosystem": "pypi"
},
{
"name": "orjson",
"direct": false,
"version": "3.11.9",
"ecosystem": "pypi"
},
{
"name": "overrides",
"direct": false,
"version": "7.7.0",
"ecosystem": "pypi"
},
{
"name": "packaging",
"direct": false,
"version": "26.2",
"ecosystem": "pypi"
},
{
"name": "palettable",
"direct": false,
"version": "3.3.3",
"ecosystem": "pypi"
},
{
"name": "pandas",
"direct": false,
"version": "3.0.3",
"ecosystem": "pypi"
},
{
"name": "pandocfilters",
"direct": false,
"version": "1.5.1",
"ecosystem": "pypi"
},
{
"name": "parso",
"direct": false,
"version": "0.8.7",
"ecosystem": "pypi"
},
{
"name": "pathspec",
"direct": false,
"version": "1.1.1",
"ecosystem": "pypi"
},
{
"name": "pexpect",
"direct": false,
"version": "4.9.0",
"ecosystem": "pypi"
},
{
"name": "phono3py",
"direct": false,
"version": "4.3.3",
"ecosystem": "pypi"
},
{
"name": "phonopy",
"direct": false,
"version": "4.3.1",
"ecosystem": "pypi"
},
{
"name": "phonors",
"direct": false,
"version": "0.3.0",
"ecosystem": "pypi"
},
{
"name": "pillow",
"direct": false,
"version": "12.3.0",
"ecosystem": "pypi"
},
{
"name": "platformdirs",
"direct": false,
"version": "4.10.0",
"ecosystem": "pypi"
},
{
"name": "plotly",
"direct": false,
"version": "6.9.0",
"ecosystem": "pypi"
},
{
"name": "pluggy",
"direct": false,
"version": "1.6.0",
"ecosystem": "pypi"
},
{
"name": "pre-commit",
"direct": false,
"version": "4.6.0",
"ecosystem": "pypi"
},
{
"name": "prometheus-client",
"direct": false,
"version": "0.25.0",
"ecosystem": "pypi"
},
{
"name": "prompt-toolkit",
"direct": false,
"version": "3.0.52",
"ecosystem": "pypi"
},
{
"name": "propcache",
"direct": false,
"version": "0.5.2",
"ecosystem": "pypi"
},
{
"name": "psutil",
"direct": false,
"version": "7.2.2",
"ecosystem": "pypi"
},
{
"name": "ptyprocess",
"direct": false,
"version": "0.7.0",
"ecosystem": "pypi"
},
{
"name": "pure-eval",
"direct": false,
"version": "0.2.3",
"ecosystem": "pypi"
},
{
"name": "pycparser",
"direct": false,
"version": "3.0",
"ecosystem": "pypi"
},
{
"name": "pydantic",
"direct": false,
"version": "2.13.4",
"ecosystem": "pypi"
},
{
"name": "pydantic-core",
"direct": false,
"version": "2.46.4",
"ecosystem": "pypi"
},
{
"name": "pygments",
"direct": false,
"version": "2.20.0",
"ecosystem": "pypi"
},
{
"name": "pymatgen",
"direct": false,
"version": "2026.7.16",
"ecosystem": "pypi"
},
{
"name": "pymatgen-analysis-alloys",
"direct": false,
"version": "0.0.9",
"ecosystem": "pypi"
},
{
"name": "pyocse",
"direct": false,
"version": "0.1.3",
"ecosystem": "pypi"
},
{
"name": "pyparsing",
"direct": false,
"version": "3.3.2",
"ecosystem": "pypi"
},
{
"name": "pyright",
"direct": false,
"version": "1.1.411",
"ecosystem": "pypi"
},
{
"name": "pytest",
"direct": false,
"version": "9.1.1",
"ecosystem": "pypi"
},
{
"name": "pytest-cov",
"direct": false,
"version": "7.1.0",
"ecosystem": "pypi"
},
{
"name": "pytest-split",
"direct": false,
"version": "0.11.0",
"ecosystem": "pypi"
},
{
"name": "pytest-xdist",
"direct": false,
"version": "3.8.0",
"ecosystem": "pypi"
},
{
"name": "python-dateutil",
"direct": false,
"version": "2.9.0.post0",
"ecosystem": "pypi"
},
{
"name": "python-discovery",
"direct": false,
"version": "1.4.4",
"ecosystem": "pypi"
},
{
"name": "python-json-logger",
"direct": false,
"version": "4.1.0",
"ecosystem": "pypi"
},
{
"name": "pytorch-lightning",
"direct": false,
"version": "2.6.5",
"ecosystem": "pypi"
},
{
"name": "pywinpty",
"direct": false,
"version": "3.0.5",
"ecosystem": "pypi"
},
{
"name": "pyxtal",
"direct": false,
"version": "1.1.4",
"ecosystem": "pypi"
},
{
"name": "pyyaml",
"direct": false,
"version": "6.0.3",
"ecosystem": "pypi"
},
{
"name": "pyzeo",
"direct": false,
"version": "0.2.0",
"ecosystem": "pypi"
},
{
"name": "pyzmq",
"direct": false,
"version": "27.1.0",
"ecosystem": "pypi"
},
{
"name": "referencing",
"direct": false,
"version": "0.37.0",
"ecosystem": "pypi"
},
{
"name": "requests",
"direct": false,
"version": "2.34.2",
"ecosystem": "pypi"
},
{
"name": "rfc3339-validator",
"direct": false,
"version": "0.1.4",
"ecosystem": "pypi"
},
{
"name": "rfc3986-validator",
"direct": false,
"version": "0.1.1",
"ecosystem": "pypi"
},
{
"name": "rfc3987-syntax",
"direct": false,
"version": "1.1.0",
"ecosystem": "pypi"
},
{
"name": "roman-numerals",
"direct": false,
"version": "4.1.0",
"ecosystem": "pypi"
},
{
"name": "rpds-py",
"direct": false,
"version": "2026.6.3",
"ecosystem": "pypi"
},
{
"name": "ruamel-yaml",
"direct": false,
"version": "0.19.1",
"ecosystem": "pypi"
},
{
"name": "ruff",
"direct": false,
"version": "0.15.21",
"ecosystem": "pypi"
},
{
"name": "s3transfer",
"direct": false,
"version": "0.19.1",
"ecosystem": "pypi"
},
{
"name": "scikit-learn",
"direct": false,
"version": "1.9.0",
"ecosystem": "pypi"
},
{
"name": "scipy",
"direct": false,
"version": "1.17.1",
"ecosystem": "pypi"
},
{
"name": "scipy",
"direct": false,
"version": "1.18.0",
"ecosystem": "pypi"
},
{
"name": "seekpath",
"direct": false,
"version": "2.2.1",
"ecosystem": "pypi"
},
{
"name": "send2trash",
"direct": false,
"version": "2.1.0",
"ecosystem": "pypi"
},
{
"name": "setuptools",
"direct": false,
"version": "83.0.0",
"ecosystem": "pypi"
},
{
"name": "shapely",
"direct": false,
"version": "2.1.2",
"ecosystem": "pypi"
},
{
"name": "six",
"direct": false,
"version": "1.17.0",
"ecosystem": "pypi"
},
{
"name": "sniffio",
"direct": false,
"version": "1.3.1",
"ecosystem": "pypi"
},
{
"name": "snowballstemmer",
"direct": false,
"version": "3.1.1",
"ecosystem": "pypi"
},
{
"name": "soupsieve",
"direct": false,
"version": "2.8.4",
"ecosystem": "pypi"
},
{
"name": "spglib",
"direct": false,
"version": "2.7.0",
"ecosystem": "pypi"
},
{
"name": "sphinx",
"direct": false,
"version": "9.0.4",
"ecosystem": "pypi"
},
{
"name": "sphinx",
"direct": false,
"version": "9.1.0",
"ecosystem": "pypi"
},
{
"name": "sphinx-markdown-builder",
"direct": false,
"version": "0.6.10",
"ecosystem": "pypi"
},
{
"name": "sphinx-rtd-theme",
"direct": false,
"version": "3.1.0",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-applehelp",
"direct": false,
"version": "2.0.0",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-devhelp",
"direct": false,
"version": "2.0.0",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-htmlhelp",
"direct": false,
"version": "2.1.0",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-jquery",
"direct": false,
"version": "4.1",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-jsmath",
"direct": false,
"version": "1.0.1",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-qthelp",
"direct": false,
"version": "2.0.0",
"ecosystem": "pypi"
},
{
"name": "sphinxcontrib-serializinghtml",
"direct": false,
"version": "2.0.0",
"ecosystem": "pypi"
},
{
"name": "stack-data",
"direct": false,
"version": "0.6.3",
"ecosystem": "pypi"
},
{
"name": "symfc",
"direct": false,
"version": "1.7.3",
"ecosystem": "pypi"
},
{
"name": "sympy",
"direct": false,
"version": "1.14.0",
"ecosystem": "pypi"
},
{
"name": "tabulate",
"direct": false,
"version": "0.10.0",
"ecosystem": "pypi"
},
{
"name": "tblite",
"direct": false,
"version": "0.7.0",
"ecosystem": "pypi"
},
{
"name": "terminado",
"direct": false,
"version": "0.18.1",
"ecosystem": "pypi"
},
{
"name": "threadpoolctl",
"direct": false,
"version": "3.6.0",
"ecosystem": "pypi"
},
{
"name": "tinycss2",
"direct": false,
"version": "1.5.1",
"ecosystem": "pypi"
},
{
"name": "toml",
"direct": false,
"version": "0.10.2",
"ecosystem": "pypi"
},
{
"name": "tomli",
"direct": false,
"version": "2.4.1",
"ecosystem": "pypi"
},
{
"name": "toolz",
"direct": false,
"version": "1.1.0",
"ecosystem": "pypi"
},
{
"name": "torch",
"direct": false,
"version": "2.13.0",
"ecosystem": "pypi"
},
{
"name": "torch-geometric",
"direct": false,
"version": "2.8.0",
"ecosystem": "pypi"
},
{
"name": "torchdata",
"direct": false,
"version": "0.11.0",
"ecosystem": "pypi"
},
{
"name": "torchmetrics",
"direct": false,
"version": "1.9.0",
"ecosystem": "pypi"
},
{
"name": "tornado",
"direct": false,
"version": "6.5.7",
"ecosystem": "pypi"
},
{
"name": "tqdm",
"direct": false,
"version": "4.68.4",
"ecosystem": "pypi"
},
{
"name": "trainstation",
"direct": false,
"version": "1.2",
"ecosystem": "pypi"
},
{
"name": "traitlets",
"direct": false,
"version": "5.15.1",
"ecosystem": "pypi"
},
{
"name": "triton",
"direct": false,
"version": "3.7.1",
"ecosystem": "pypi"
},
{
"name": "typing-extensions",
"direct": false,
"version": "4.16.0",
"ecosystem": "pypi"
},
{
"name": "typing-inspection",
"direct": false,
"version": "0.4.2",
"ecosystem": "pypi"
},
{
"name": "tzdata",
"direct": false,
"version": "2026.3",
"ecosystem": "pypi"
},
{
"name": "uncertainties",
"direct": false,
"version": "3.2.3",
"ecosystem": "pypi"
},
{
"name": "uri-template",
"direct": false,
"version": "1.3.0",
"ecosystem": "pypi"
},
{
"name": "urllib3",
"direct": false,
"version": "2.7.0",
"ecosystem": "pypi"
},
{
"name": "vapory",
"direct": false,
"version": "0.1.2",
"ecosystem": "pypi"
},
{
"name": "vasprun-xml",
"direct": false,
"version": "1.0.4",
"ecosystem": "pypi"
},
{
"name": "virtualenv",
"direct": false,
"version": "21.6.1",
"ecosystem": "pypi"
},
{
"name": "vtk",
"direct": false,
"version": "9.6.2",
"ecosystem": "pypi"
},
{
"name": "wcwidth",
"direct": false,
"version": "0.8.2",
"ecosystem": "pypi"
},
{
"name": "webcolors",
"direct": false,
"version": "25.10.0",
"ecosystem": "pypi"
},
{
"name": "webencodings",
"direct": false,
"version": "0.5.1",
"ecosystem": "pypi"
},
{
"name": "websocket-client",
"direct": false,
"version": "1.9.0",
"ecosystem": "pypi"
},
{
"name": "xmltodict",
"direct": false,
"version": "1.0.4",
"ecosystem": "pypi"
},
{
"name": "xxhash",
"direct": false,
"version": "3.8.1",
"ecosystem": "pypi"
},
{
"name": "yarl",
"direct": false,
"version": "1.24.2",
"ecosystem": "pypi"
},
{
"name": "zipp",
"direct": false,
"version": "4.1.0",
"ecosystem": "pypi"
},
{
"name": "activesupport",
"direct": false,
"version": "7.2.3.1",
"ecosystem": "rubygems"
},
{
"name": "addressable",
"direct": false,
"version": "2.9.0",
"ecosystem": "rubygems"
},
{
"name": "base64",
"direct": false,
"version": "0.3.0",
"ecosystem": "rubygems"
},
{
"name": "benchmark",
"direct": false,
"version": "0.5.0",
"ecosystem": "rubygems"
},
{
"name": "bigdecimal",
"direct": false,
"version": "4.0.1",
"ecosystem": "rubygems"
},
{
"name": "coffee-script",
"direct": false,
"version": "2.4.1",
"ecosystem": "rubygems"
},
{
"name": "coffee-script-source",
"direct": false,
"version": "1.11.1",
"ecosystem": "rubygems"
},
{
"name": "colorator",
"direct": false,
"version": "1.1.0",
"ecosystem": "rubygems"
},
{
"name": "commonmarker",
"direct": false,
"version": "0.23.10",
"ecosystem": "rubygems"
},
{
"name": "concurrent-ruby",
"direct": false,
"version": "1.3.7",
"ecosystem": "rubygems"
},
{
"name": "connection_pool",
"direct": false,
"version": "3.0.2",
"ecosystem": "rubygems"
},
{
"name": "dnsruby",
"direct": false,
"version": "1.70.0",
"ecosystem": "rubygems"
},
{
"name": "drb",
"direct": false,
"version": "2.2.3",
"ecosystem": "rubygems"
},
{
"name": "em-websocket",
"direct": false,
"version": "0.5.3",
"ecosystem": "rubygems"
},
{
"name": "ethon",
"direct": false,
"version": "0.16.0",
"ecosystem": "rubygems"
},
{
"name": "eventmachine",
"direct": false,
"version": "1.2.7",
"ecosystem": "rubygems"
},
{
"name": "execjs",
"direct": false,
"version": "2.8.1",
"ecosystem": "rubygems"
},
{
"name": "faraday",
"direct": false,
"version": "2.14.3",
"ecosystem": "rubygems"
},
{
"name": "faraday-net_http",
"direct": false,
"version": "3.4.4",
"ecosystem": "rubygems"
},
{
"name": "ffi",
"direct": false,
"version": "1.15.5",
"ecosystem": "rubygems"
},
{
"name": "forwardable-extended",
"direct": false,
"version": "2.6.0",
"ecosystem": "rubygems"
},
{
"name": "gemoji",
"direct": false,
"version": "3.0.1",
"ecosystem": "rubygems"
},
{
"name": "github-pages-health-check",
"direct": false,
"version": "1.17.9",
"ecosystem": "rubygems"
},
{
"name": "html-pipeline",
"direct": false,
"version": "2.14.3",
"ecosystem": "rubygems"
},
{
"name": "i18n",
"direct": false,
"version": "1.14.8",
"ecosystem": "rubygems"
},
{
"name": "jekyll",
"direct": false,
"version": "3.9.3",
"ecosystem": "rubygems"
},
{
"name": "jekyll-avatar",
"direct": false,
"version": "0.7.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-coffeescript",
"direct": false,
"version": "1.1.1",
"ecosystem": "rubygems"
},
{
"name": "jekyll-commonmark",
"direct": false,
"version": "1.4.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-commonmark-ghpages",
"direct": false,
"version": "0.4.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-default-layout",
"direct": false,
"version": "0.1.4",
"ecosystem": "rubygems"
},
{
"name": "jekyll-gist",
"direct": false,
"version": "1.5.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-github-metadata",
"direct": false,
"version": "2.13.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-include-cache",
"direct": false,
"version": "0.2.1",
"ecosystem": "rubygems"
},
{
"name": "jekyll-mentions",
"direct": false,
"version": "1.6.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-optional-front-matter",
"direct": false,
"version": "0.3.2",
"ecosystem": "rubygems"
},
{
"name": "jekyll-paginate",
"direct": false,
"version": "1.1.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-readme-index",
"direct": false,
"version": "0.3.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-redirect-from",
"direct": false,
"version": "0.16.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-relative-links",
"direct": false,
"version": "0.6.1",
"ecosystem": "rubygems"
},
{
"name": "jekyll-remote-theme",
"direct": false,
"version": "0.4.3",
"ecosystem": "rubygems"
},
{
"name": "jekyll-sass-converter",
"direct": false,
"version": "1.5.2",
"ecosystem": "rubygems"
},
{
"name": "jekyll-seo-tag",
"direct": false,
"version": "2.8.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-sitemap",
"direct": false,
"version": "1.4.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-swiss",
"direct": false,
"version": "1.0.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-architect",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-cayman",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-dinky",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-hacker",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-leap-day",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-merlot",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-midnight",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-minimal",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-modernist",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-primer",
"direct": false,
"version": "0.6.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-slate",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-tactile",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-theme-time-machine",
"direct": false,
"version": "0.2.0",
"ecosystem": "rubygems"
},
{
"name": "jekyll-titles-from-headings",
"direct": false,
"version": "0.5.3",
"ecosystem": "rubygems"
},
{
"name": "jekyll-watch",
"direct": false,
"version": "2.2.1",
"ecosystem": "rubygems"
},
{
"name": "jemoji",
"direct": false,
"version": "0.12.0",
"ecosystem": "rubygems"
},
{
"name": "json",
"direct": false,
"version": "2.20.0",
"ecosystem": "rubygems"
},
{
"name": "kramdown",
"direct": false,
"version": "2.3.2",
"ecosystem": "rubygems"
},
{
"name": "kramdown-parser-gfm",
"direct": false,
"version": "1.1.0",
"ecosystem": "rubygems"
},
{
"name": "liquid",
"direct": false,
"version": "4.0.4",
"ecosystem": "rubygems"
},
{
"name": "listen",
"direct": false,
"version": "3.8.0",
"ecosystem": "rubygems"
},
{
"name": "logger",
"direct": false,
"version": "1.7.0",
"ecosystem": "rubygems"
},
{
"name": "mercenary",
"direct": false,
"version": "0.3.6",
"ecosystem": "rubygems"
},
{
"name": "minitest",
"direct": false,
"version": "5.27.0",
"ecosystem": "rubygems"
},
{
"name": "net-http",
"direct": false,
"version": "0.9.1",
"ecosystem": "rubygems"
},
{
"name": "nokogiri",
"direct": false,
"version": "1.19.4",
"ecosystem": "rubygems"
},
{
"name": "octokit",
"direct": false,
"version": "4.25.1",
"ecosystem": "rubygems"
},
{
"name": "pathutil",
"direct": false,
"version": "0.16.2",
"ecosystem": "rubygems"
},
{
"name": "public_suffix",
"direct": false,
"version": "4.0.7",
"ecosystem": "rubygems"
},
{
"name": "racc",
"direct": false,
"version": "1.8.1",
"ecosystem": "rubygems"
},
{
"name": "rb-fsevent",
"direct": false,
"version": "0.11.2",
"ecosystem": "rubygems"
},
{
"name": "rb-inotify",
"direct": false,
"version": "0.10.1",
"ecosystem": "rubygems"
},
{
"name": "rexml",
"direct": false,
"version": "3.4.2",
"ecosystem": "rubygems"
},
{
"name": "rouge",
"direct": false,
"version": "3.26.0",
"ecosystem": "rubygems"
},
{
"name": "rubyzip",
"direct": false,
"version": "2.3.2",
"ecosystem": "rubygems"
},
{
"name": "safe_yaml",
"direct": false,
"version": "1.0.5",
"ecosystem": "rubygems"
},
{
"name": "sass",
"direct": false,
"version": "3.7.4",
"ecosystem": "rubygems"
},
{
"name": "sass-listen",
"direct": false,
"version": "4.0.0",
"ecosystem": "rubygems"
},
{
"name": "sawyer",
"direct": false,
"version": "0.9.2",
"ecosystem": "rubygems"
},
{
"name": "securerandom",
"direct": false,
"version": "0.4.1",
"ecosystem": "rubygems"
},
{
"name": "simpleidn",
"direct": false,
"version": "0.2.1",
"ecosystem": "rubygems"
},
{
"name": "terminal-table",
"direct": false,
"version": "1.8.0",
"ecosystem": "rubygems"
},
{
"name": "typhoeus",
"direct": false,
"version": "1.4.0",
"ecosystem": "rubygems"
},
{
"name": "unf",
"direct": false,
"version": "0.1.4",
"ecosystem": "rubygems"
},
{
"name": "unf_ext",
"direct": false,
"version": "0.0.8.2",
"ecosystem": "rubygems"
},
{
"name": "unicode-display_width",
"direct": false,
"version": "1.8.0",
"ecosystem": "rubygems"
},
{
"name": "uri",
"direct": false,
"version": "1.1.1",
"ecosystem": "rubygems"
}
],
"collected": true,
"truncated": false,
"total_count": 353,
"direct_count": 7,
"indirect_count": 346
}
},
"maintainership": {
"issues": {
"open_prs": 0,
"merged_prs": 2709,
"open_issues": 135,
"closed_ratio": 0.911,
"closed_issues": 1381,
"closed_unmerged_prs": 325
},
"bus_factor": 5,
"top_contributors": [
{
"type": "User",
"login": "shyuep",
"commits": 5554,
"avatar_url": "https://avatars.githubusercontent.com/u/577107?u=e27cdf6fb3f300223d5a7735b9ac5a02f0bf9779&v=4"
},
{
"type": "User",
"login": "gmatteo",
"commits": 1432,
"avatar_url": "https://avatars.githubusercontent.com/u/3811747?u=7524e1b404db2e1ec4807c7650398b4d68cea715&v=4"
},
{
"type": "User",
"login": "setten",
"commits": 1159,
"avatar_url": "https://avatars.githubusercontent.com/u/6103800?u=4c90ad32ee1fec81faa8f667d2f32de1ae7270d0&v=4"
},
{
"type": "User",
"login": "mkhorton",
"commits": 1053,
"avatar_url": "https://avatars.githubusercontent.com/u/2976580?u=591fad5789f36dcafa5ec1487ba8d10504310e11&v=4"
},
{
"type": "User",
"login": "janosh",
"commits": 1050,
"avatar_url": "https://avatars.githubusercontent.com/u/30958850?v=4"
},
{
"type": "User",
"login": "rkingsbury",
"commits": 627,
"avatar_url": "https://avatars.githubusercontent.com/u/1908695?u=527c54b9102c862ae57af5c62ae89e5506602e0d&v=4"
},
{
"type": "User",
"login": "wmdrichards",
"commits": 602,
"avatar_url": "https://avatars.githubusercontent.com/u/1108541?v=4"
},
{
"type": "User",
"login": "samblau",
"commits": 526,
"avatar_url": "https://avatars.githubusercontent.com/u/7431223?u=1b8ab22fad69ffb37aed50574dd80957ed7a4801&v=4"
},
{
"type": "User",
"login": "montoyjh",
"commits": 445,
"avatar_url": "https://avatars.githubusercontent.com/u/6494516?u=80416c4b8e7d5905a2bf4506de0c623fcb53ead2&v=4"
},
{
"type": "User",
"login": "computron",
"commits": 367,
"avatar_url": "https://avatars.githubusercontent.com/u/986759?v=4"
}
],
"contributors_sampled": 100,
"top_contributor_share": 0.292
},
"quality_signals": {
"has_ci": true,
"has_tests": true,
"ci_workflows": [
"jekyll-gh-pages.yml",
"lint.yml",
"release.yml",
"test.yml"
],
"has_docs_dir": true,
"linter_configs": [],
"has_editorconfig": true,
"has_linter_config": true,
"has_precommit_config": true
},
"security_signals": {
"lockfiles": [
"Gemfile.lock",
"uv.lock"
],
"scorecard": {
"checks": [
{
"name": "Binary-Artifacts",
"score": 10,
"reason": "no binaries found in the repo",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#binary-artifacts"
},
{
"name": "Branch-Protection",
"score": null,
"reason": "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",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#branch-protection"
},
{
"name": "CI-Tests",
"score": 3,
"reason": "6 out of 17 merged PRs checked by a CI test -- score normalized to 3",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#ci-tests"
},
{
"name": "CII-Best-Practices",
"score": 0,
"reason": "no effort to earn an OpenSSF best practices badge detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#cii-best-practices"
},
{
"name": "Code-Review",
"score": 3,
"reason": "Found 8/21 approved changesets -- score normalized to 3",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#code-review"
},
{
"name": "Contributors",
"score": 10,
"reason": "project has 26 contributing companies or organizations",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#contributors"
},
{
"name": "Dangerous-Workflow",
"score": 10,
"reason": "no dangerous workflow patterns detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#dangerous-workflow"
},
{
"name": "Dependency-Update-Tool",
"score": 10,
"reason": "update tool detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#dependency-update-tool"
},
{
"name": "Fuzzing",
"score": 0,
"reason": "project is not fuzzed",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#fuzzing"
},
{
"name": "License",
"score": 9,
"reason": "license file detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#license"
},
{
"name": "Maintained",
"score": 10,
"reason": "30 commit(s) and 3 issue activity found in the last 90 days -- score normalized to 10",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#maintained"
},
{
"name": "Packaging",
"score": 10,
"reason": "packaging workflow detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#packaging"
},
{
"name": "Pinned-Dependencies",
"score": 0,
"reason": "dependency not pinned by hash detected -- score normalized to 0",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#pinned-dependencies"
},
{
"name": "SAST",
"score": 5,
"reason": "SAST tool is not run on all commits -- score normalized to 5",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#sast"
},
{
"name": "Security-Policy",
"score": 10,
"reason": "security policy file detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#security-policy"
},
{
"name": "Signed-Releases",
"score": null,
"reason": "no releases found",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#signed-releases"
},
{
"name": "Token-Permissions",
"score": 10,
"reason": "GitHub workflow tokens follow principle of least privilege",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#token-permissions"
},
{
"name": "Vulnerabilities",
"score": 10,
"reason": "0 existing vulnerabilities detected",
"documentation_url": "https://github.com/ossf/scorecard/blob/c395761df6afe1a69e476bc60a013a94bcbc153f/docs/checks.md#vulnerabilities"
}
],
"commit": "221d2fd7decde413874b367f1cc8985b49b18bf3",
"ran_at": "2026-07-18T14:27:20Z",
"aggregate_score": 7.5,
"scorecard_version": "v5.5.0"
},
"has_codeql_workflow": false,
"has_security_policy": true,
"has_dependabot_config": false
}
},
"config": {
"disabled_metrics": [],
"disabled_categories": [],
"disabled_components": {}
},
"source": {
"url": "https://github.com/materialsproject/pymatgen",
"host": "github.com",
"name": "pymatgen",
"owner": "materialsproject"
},
"metrics": {
"overall": {
"key": "overall",
"band": "excellent",
"name": "Overall health",
"note": null,
"notes": [],
"value": 86,
"inputs": {
"security": 75,
"vitality": 92,
"community": 90,
"governance": 85,
"engineering": 88
},
"components": []
},
"categories": [
{
"key": "vitality",
"band": "excellent",
"name": "Vitality",
"value": 92,
"weight": 0.22,
"metrics": [
{
"key": "development_activity",
"band": "excellent",
"name": "Development activity",
"note": null,
"notes": [],
"value": 86,
"inputs": {
"commits_last_year": 284,
"human_commit_share": null,
"days_since_last_push": 1,
"active_weeks_last_year": 32
},
"components": [
{
"key": "push_recency",
"name": "Push recency",
"detail": "last push 1 days ago",
"points": 36,
"status": "met",
"details": [
{
"code": "push_recency",
"params": {
"days": 1
}
}
],
"max_points": 36
},
{
"key": "commit_cadence",
"name": "Commit cadence",
"detail": "32/52 weeks with commits",
"points": 22.2,
"status": "partial",
"details": [
{
"code": "commit_cadence_weeks",
"params": {
"weeks": 32
}
}
],
"max_points": 36
},
{
"key": "commit_volume",
"name": "Commit volume",
"detail": "284 commits in the last year",
"points": 18,
"status": "met",
"details": [
{
"code": "commits_last_year",
"params": {
"count": 284
}
}
],
"max_points": 18
},
{
"key": "openssf_scorecard_maintained",
"name": "OpenSSF Scorecard: Maintained",
"detail": "30 commit(s) and 3 issue activity found in the last 90 days -- score normalized to 10",
"points": 10,
"status": "met",
"details": [],
"max_points": 10
}
]
},
{
"key": "release_discipline",
"band": "excellent",
"name": "Release discipline",
"note": "Excluded from scoring (no data or not applicable): OpenSSF Scorecard: Signed-Releases. Remaining weights renormalized.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
"openssf_scorecard_signed_releases"
]
}
},
{
"code": "weights_renormalized",
"params": {}
}
],
"value": 100,
"inputs": {
"releases_count": 100,
"latest_release_tag": "v2026.5.4",
"releases_from_tags": false,
"days_since_latest_release": 74,
"mean_days_between_releases": 42.2
},
"components": [
{
"key": "ships_releases",
"name": "Ships releases",
"detail": "100 releases published",
"points": 27,
"status": "met",
"details": [
{
"code": "releases_published",
"params": {
"count": 100
}
}
],
"max_points": 27
},
{
"key": "release_recency",
"name": "Release recency",
"detail": "latest release 74 days ago",
"points": 36,
"status": "met",
"details": [
{
"code": "release_recency",
"params": {
"days": 74
}
}
],
"max_points": 36
},
{
"key": "release_cadence",
"name": "Release cadence",
"detail": "a release every ~42.2 days",
"points": 27,
"status": "met",
"details": [
{
"code": "release_cadence",
"params": {
"gap": 42.2
}
}
],
"max_points": 27
},
{
"key": "openssf_scorecard_signed_releases",
"name": "OpenSSF Scorecard: Signed-Releases",
"detail": "no releases found",
"points": 0,
"status": "excluded",
"details": [
{
"code": "no_data",
"params": {}
}
],
"max_points": 10
}
]
},
{
"key": "abandonment",
"band": "excellent",
"name": "Abandonment",
"note": null,
"notes": [],
"value": 100,
"inputs": {
"cap": null,
"state": "unverified",
"guards": [],
"signals": [],
"red_flag": false,
"multiplier_pct": 100,
"declared_reason": null,
"unverified_reason": "no_commit_sample",
"unanswered_open_prs": null,
"unanswered_open_issues": null,
"days_since_last_merged_pr": null,
"days_since_last_human_commit": null,
"days_since_last_human_commit_is_floor": false
},
"components": [
{
"key": "project_is_still_maintained",
"name": "Project is still maintained",
"detail": "maintenance record not established from the collected data",
"points": 100,
"status": "met",
"details": [
{
"code": "abandonment_unverified",
"params": {}
}
],
"max_points": 100
}
]
}
],
"description": "Is the project alive — is code being written and are releases shipping?"
},
{
"key": "community",
"band": "excellent",
"name": "Community & Adoption",
"value": 90,
"weight": 0.18,
"metrics": [
{
"key": "popularity",
"band": "excellent",
"name": "Popularity & adoption",
"note": null,
"notes": [],
"value": 89,
"inputs": {
"forks": 959,
"stars": 1926,
"watchers": 109,
"growth_state": "unverified",
"growth_factor_pct": 100,
"growth_unverified_reason": "no_history"
},
"components": [
{
"key": "stars",
"name": "Stars",
"detail": "1,926 stars",
"points": 53.3,
"status": "partial",
"details": [
{
"code": "stars",
"params": {
"count": 1926
}
}
],
"max_points": 60
},
{
"key": "forks",
"name": "Forks",
"detail": "959 forks",
"points": 24.8,
"status": "partial",
"details": [
{
"code": "forks",
"params": {
"count": 959
}
}
],
"max_points": 25
},
{
"key": "watchers",
"name": "Watchers",
"detail": "109 watchers",
"points": 11.3,
"status": "partial",
"details": [
{
"code": "watchers",
"params": {
"count": 109
}
}
],
"max_points": 15
}
]
},
{
"key": "community_health",
"band": "excellent",
"name": "Community health",
"note": null,
"notes": [],
"value": 86,
"inputs": {
"has_readme": true,
"has_license": true,
"has_contributing": true,
"has_issue_template": false,
"has_code_of_conduct": true,
"has_pull_request_template": true
},
"components": [
{
"key": "readme",
"name": "README",
"detail": null,
"points": 22.5,
"status": "met",
"details": [],
"max_points": 22.5
},
{
"key": "license",
"name": "License",
"detail": "license file present, not a recognized license",
"points": 16.9,
"status": "partial",
"details": [
{
"code": "license_custom",
"params": {}
}
],
"max_points": 22.5
},
{
"key": "contributing_guide",
"name": "CONTRIBUTING guide",
"detail": null,
"points": 18,
"status": "met",
"details": [],
"max_points": 18
},
{
"key": "code_of_conduct",
"name": "Code of conduct",
"detail": null,
"points": 13.5,
"status": "met",
"details": [],
"max_points": 13.5
},
{
"key": "issue_template",
"name": "Issue template",
"detail": null,
"points": 0,
"status": "missed",
"details": [],
"max_points": 7.2
},
{
"key": "pr_template",
"name": "PR template",
"detail": null,
"points": 6.3,
"status": "met",
"details": [],
"max_points": 6.3
}
]
},
{
"key": "ecosystem_adoption",
"band": "excellent",
"name": "Ecosystem adoption (downloads)",
"note": "Excluded from scoring (no data or not applicable): Registry dependents. Remaining weights renormalized.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
"registry_dependents"
]
}
},
{
"code": "weights_renormalized",
"params": {}
}
],
"value": 98,
"inputs": {
"packages": [
"pymatgen"
],
"dependents": null,
"ecosystems": "pypi",
"total_downloads": null,
"monthly_downloads": 763367
},
"components": [
{
"key": "monthly_downloads",
"name": "Monthly downloads",
"detail": "763,367 downloads/month across pypi",
"points": 78.4,
"status": "partial",
"details": [
{
"code": "downloads_monthly",
"params": {
"count": 763367,
"ecosystems": "pypi"
}
}
],
"max_points": 80
},
{
"key": "registry_dependents",
"name": "Registry dependents",
"detail": "not reported by this ecosystem",
"points": 0,
"status": "excluded",
"details": [
{
"code": "not_reported_by_this_ecosystem",
"params": {}
}
],
"max_points": 20
}
]
}
],
"description": "Does the project have users, downloads, attention, and a welcoming setup for contributors?"
},
{
"key": "governance",
"band": "excellent",
"name": "Sustainability & Governance",
"value": 85,
"weight": 0.24,
"metrics": [
{
"key": "maintainer_resilience",
"band": "excellent",
"name": "Maintainer resilience (bus factor)",
"note": null,
"notes": [],
"value": 85,
"inputs": {
"bus_factor": 5,
"contributors_sampled": 100,
"top_contributor_share": 0.292
},
"components": [
{
"key": "bus_factor",
"name": "Bus factor",
"detail": "5 contributor(s) cover half of all commits",
"points": 45.9,
"status": "partial",
"details": [
{
"code": "bus_factor",
"params": {
"count": 5
}
}
],
"max_points": 54
},
{
"key": "commit_distribution",
"name": "Commit distribution",
"detail": "top contributor authored 29% of commits",
"points": 15.9,
"status": "partial",
"details": [
{
"code": "top_contributor_share",
"params": {
"share": 29
}
}
],
"max_points": 22.5
},
{
"key": "contributor_breadth",
"name": "Contributor breadth",
"detail": "100 contributors",
"points": 13.5,
"status": "met",
"details": [
{
"code": "contributors_sampled",
"params": {
"count": 100
}
}
],
"max_points": 13.5
},
{
"key": "openssf_scorecard_contributors",
"name": "OpenSSF Scorecard: Contributors",
"detail": "project has 26 contributing companies or organizations",
"points": 10,
"status": "met",
"details": [],
"max_points": 10
}
]
},
{
"key": "responsiveness",
"band": "good",
"name": "Issue & PR responsiveness",
"note": null,
"notes": [],
"value": 81,
"inputs": {
"merged_prs": 2709,
"open_issues": 135,
"closed_issues": 1381,
"issue_closed_ratio": 0.911,
"closed_unmerged_prs": 325
},
"components": [
{
"key": "issue_resolution",
"name": "Issue resolution",
"detail": "91% of issues closed",
"points": 42.6,
"status": "partial",
"details": [
{
"code": "issues_closed_share",
"params": {
"share": 91
}
}
],
"max_points": 46.75
},
{
"key": "pr_acceptance",
"name": "PR acceptance",
"detail": "2709/3034 decided PRs merged",
"points": 34.2,
"status": "partial",
"details": [
{
"code": "decided_prs_merged",
"params": {
"merged": 2709,
"decided": 3034
}
}
],
"max_points": 38.25
},
{
"key": "openssf_scorecard_code_review",
"name": "OpenSSF Scorecard: Code-Review",
"detail": "Found 8/21 approved changesets -- score normalized to 3",
"points": 4.5,
"status": "partial",
"details": [],
"max_points": 15
}
]
},
{
"key": "stewardship",
"band": "good",
"name": "Ownership & stewardship",
"note": null,
"notes": [],
"value": 76,
"inputs": {
"followers": 909,
"owner_type": "Organization",
"is_verified": null,
"owner_login": "materialsproject",
"public_repos": 56,
"account_age_days": 5504
},
"components": [
{
"key": "ownership_backing",
"name": "Ownership backing",
"detail": "organization-owned",
"points": 30,
"status": "met",
"details": [
{
"code": "owner_organization",
"params": {}
}
],
"max_points": 30
},
{
"key": "verified_domain",
"name": "Verified domain",
"detail": null,
"points": 0,
"status": "missed",
"details": [],
"max_points": 20
},
{
"key": "owner_reach",
"name": "Owner reach",
"detail": "909 followers of materialsproject",
"points": 21.3,
"status": "partial",
"details": [
{
"code": "owner_followers",
"params": {
"count": 909,
"login": "materialsproject"
}
}
],
"max_points": 25
},
{
"key": "track_record",
"name": "Track record",
"detail": "56 public repos, account ~15 yr old",
"points": 24.8,
"status": "partial",
"details": [
{
"code": "public_repos",
"params": {
"count": 56
}
},
{
"code": "account_age_years",
"params": {
"years": 15
}
}
],
"max_points": 25
}
]
},
{
"key": "package_maintenance",
"band": "excellent",
"name": "Package maintenance",
"note": null,
"notes": [],
"value": 100,
"inputs": {
"packages": [
"pymatgen"
],
"ecosystems": "pypi",
"any_deprecated": false,
"min_days_since_publish": 74
},
"components": [
{
"key": "published_resolvable",
"name": "Published & resolvable",
"detail": "1 package(s) on pypi",
"points": 25,
"status": "met",
"details": [
{
"code": "packages_published",
"params": {
"count": 1,
"ecosystems": "pypi"
}
}
],
"max_points": 25
},
{
"key": "publish_recency",
"name": "Publish recency",
"detail": "latest publish 74 days ago",
"points": 35,
"status": "met",
"details": [
{
"code": "publish_recency",
"params": {
"days": 74
}
}
],
"max_points": 35
},
{
"key": "version_history",
"name": "Version history",
"detail": "411 published versions",
"points": 20,
"status": "met",
"details": [
{
"code": "published_versions",
"params": {
"count": 411
}
}
],
"max_points": 20
},
{
"key": "not_deprecated",
"name": "Not deprecated",
"detail": "active, not deprecated or yanked",
"points": 20,
"status": "met",
"details": [
{
"code": "package_not_deprecated",
"params": {}
}
],
"max_points": 20
}
]
}
],
"description": "Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?"
},
{
"key": "engineering",
"band": "excellent",
"name": "Engineering Quality",
"value": 88,
"weight": 0.2,
"metrics": [
{
"key": "engineering_practices",
"band": "excellent",
"name": "Engineering practices",
"note": null,
"notes": [],
"value": 86,
"inputs": {
"has_ci": true,
"has_tests": true,
"has_editorconfig": true,
"has_linter_config": true,
"has_precommit_config": true
},
"components": [
{
"key": "ci_workflows",
"name": "CI workflows",
"detail": "4 workflow(s)",
"points": 24,
"status": "met",
"details": [
{
"code": "ci_workflows",
"params": {
"count": 4
}
}
],
"max_points": 24
},
{
"key": "tests_present",
"name": "Tests present",
"detail": null,
"points": 24,
"status": "met",
"details": [],
"max_points": 24
},
{
"key": "linter_config",
"name": "Linter config",
"detail": null,
"points": 16,
"status": "met",
"details": [],
"max_points": 16
},
{
"key": "pre_commit_hooks",
"name": "Pre-commit hooks",
"detail": null,
"points": 9.6,
"status": "met",
"details": [],
"max_points": 9.6
},
{
"key": "editorconfig",
"name": ".editorconfig",
"detail": null,
"points": 6.4,
"status": "met",
"details": [],
"max_points": 6.4
},
{
"key": "openssf_scorecard_ci_tests",
"name": "OpenSSF Scorecard: CI-Tests",
"detail": "6 out of 17 merged PRs checked by a CI test -- score normalized to 3",
"points": 6,
"status": "partial",
"details": [],
"max_points": 20
}
]
},
{
"key": "documentation",
"band": "excellent",
"name": "Documentation",
"note": null,
"notes": [],
"value": 90,
"inputs": {
"topics": [
"materials",
"science",
"materials-science",
"materials-informatics",
"python"
],
"has_wiki": false,
"homepage": "https://pymatgen.org",
"has_readme": true,
"has_docs_dir": true,
"has_description": true
},
"components": [
{
"key": "readme",
"name": "README",
"detail": null,
"points": 30,
"status": "met",
"details": [],
"max_points": 30
},
{
"key": "documentation_directory",
"name": "Documentation directory",
"detail": null,
"points": 25,
"status": "met",
"details": [],
"max_points": 25
},
{
"key": "documentation_homepage_site",
"name": "Documentation / homepage site",
"detail": "https://pymatgen.org",
"points": 15,
"status": "met",
"details": [],
"max_points": 15
},
{
"key": "repository_description",
"name": "Repository description",
"detail": null,
"points": 10,
"status": "met",
"details": [],
"max_points": 10
},
{
"key": "topics",
"name": "Topics",
"detail": "5 topics",
"points": 10,
"status": "met",
"details": [
{
"code": "topics_count",
"params": {
"count": 5
}
}
],
"max_points": 10
},
{
"key": "wiki",
"name": "Wiki",
"detail": null,
"points": 0,
"status": "missed",
"details": [],
"max_points": 10
}
]
}
],
"description": "Are baseline engineering and documentation practices in place?"
},
{
"key": "security",
"band": "good",
"name": "Security",
"value": 75,
"weight": 0.16,
"metrics": [
{
"key": "security_posture",
"band": "good",
"name": "Security posture",
"note": "Excluded from scoring (no data or not applicable): Branch-Protection, Signed-Releases. Remaining weights renormalized.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
"branch_protection",
"signed_releases"
]
}
},
{
"code": "weights_renormalized",
"params": {}
}
],
"value": 75,
"inputs": {
"source": "openssf_scorecard",
"checks_evaluated": 16,
"scorecard_version": "v5.5.0",
"checks_inconclusive": 2,
"scorecard_aggregate": 7.5
},
"components": [
{
"key": "binary_artifacts",
"name": "Binary-Artifacts",
"detail": "no binaries found in the repo",
"points": 7.5,
"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": "6 out of 17 merged PRs checked by a CI test -- score normalized to 3",
"points": 0.8,
"status": "partial",
"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 8/21 approved changesets -- score normalized to 3",
"points": 2.2,
"status": "partial",
"details": [],
"max_points": 7.5
},
{
"key": "contributors",
"name": "Contributors",
"detail": "project has 26 contributing companies or organizations",
"points": 2.5,
"status": "met",
"details": [],
"max_points": 2.5
},
{
"key": "dangerous_workflow",
"name": "Dangerous-Workflow",
"detail": "no dangerous workflow patterns detected",
"points": 10,
"status": "met",
"details": [],
"max_points": 10
},
{
"key": "dependency_update_tool",
"name": "Dependency-Update-Tool",
"detail": "update tool detected",
"points": 7.5,
"status": "met",
"details": [],
"max_points": 7.5
},
{
"key": "fuzzing",
"name": "Fuzzing",
"detail": "project is not fuzzed",
"points": 0,
"status": "missed",
"details": [],
"max_points": 5
},
{
"key": "license",
"name": "License",
"detail": "license file detected",
"points": 2.2,
"status": "partial",
"details": [],
"max_points": 2.5
},
{
"key": "maintained",
"name": "Maintained",
"detail": "30 commit(s) and 3 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 detected",
"points": 5,
"status": "met",
"details": [],
"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 5",
"points": 2.5,
"status": "partial",
"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": "GitHub workflow tokens follow principle of least privilege",
"points": 7.5,
"status": "met",
"details": [],
"max_points": 7.5
},
{
"key": "vulnerabilities",
"name": "Vulnerabilities",
"detail": "0 existing vulnerabilities detected",
"points": 7.5,
"status": "met",
"details": [],
"max_points": 7.5
}
]
},
{
"key": "high_risk_jurisdiction_exposure",
"band": "excellent",
"name": "High-Risk Jurisdiction Exposure",
"note": "Only high-confidence self-published location evidence affects this multiplier. Ambiguous matches are review-only; country evidence is not proof of nationality, citizenship, legal registration, malicious intent, or sanctions status.",
"notes": [
{
"code": "jurisdiction_evidence_limits",
"params": {}
}
],
"value": 100,
"inputs": {
"meaning": "self-published location evidence; not nationality or citizenship",
"red_flag": false,
"exposures": [],
"policy_countries": [
"Russia",
"Iran",
"North Korea"
],
"review_only_matches": 0,
"assessed_self_published_locations": 7
},
"components": [
{
"key": "policy_exposure_multiplier",
"name": "Policy exposure multiplier",
"detail": "no confirmed policy-scope location match",
"points": 100,
"status": "met",
"details": [
{
"code": "jurisdiction_no_match",
"params": {}
}
],
"max_points": 100
}
]
}
],
"description": "Are visible security and supply-chain practices strong, with no malicious dependency and no unresolved high-risk jurisdiction exposure?"
},
{
"key": "ai_readiness",
"band": "moderate",
"name": "AI Readiness",
"value": 54,
"weight": 0,
"metrics": [
{
"key": "ai_agent_context",
"band": "critical",
"name": "Agent context & guidance",
"note": "Excluded from scoring (no data or not applicable): Legible commit history. Remaining weights renormalized.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
"legible_commit_history"
]
}
},
{
"code": "weights_renormalized",
"params": {}
}
],
"value": 1,
"inputs": {
"has_llms_txt": false,
"legible_history_share": null,
"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": "no data",
"points": 0,
"status": "excluded",
"details": [
{
"code": "no_data",
"params": {}
}
],
"max_points": 40
}
]
},
{
"key": "ai_verify_loop",
"band": "excellent",
"name": "Verify loop (build / test / typecheck)",
"note": "Excluded from scoring (no data or not applicable): Demonstrated agent practice, Automated maintenance. Remaining weights renormalized.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
"demonstrated_agent_practice",
"automated_maintenance"
]
}
},
{
"code": "weights_renormalized",
"params": {}
}
],
"value": 88,
"inputs": {
"has_nix": false,
"has_tests": true,
"lockfiles": [
"Gemfile.lock",
"uv.lock"
],
"has_dockerfile": false,
"typed_language": false,
"bootstrap_files": [
"docs/Makefile"
],
"has_devcontainer": false,
"has_linter_config": true,
"typecheck_configs": [
"src/pymatgen/py.typed"
],
"agent_commit_share": null,
"toolchain_manifests": [],
"dependency_bot_commit_share": null
},
"components": [
{
"key": "one_command_bootstrap",
"name": "One-command bootstrap",
"detail": "docs/Makefile",
"points": 18,
"status": "met",
"details": [
{
"code": "file_list",
"params": {
"files": "docs/Makefile"
}
}
],
"max_points": 18
},
{
"key": "automated_tests",
"name": "Automated tests",
"detail": null,
"points": 22,
"status": "met",
"details": [],
"max_points": 22
},
{
"key": "lint_format_config",
"name": "Lint / format config",
"detail": null,
"points": 11,
"status": "met",
"details": [],
"max_points": 11
},
{
"key": "static_type_checking",
"name": "Static type checking",
"detail": "src/pymatgen/py.typed",
"points": 11,
"status": "met",
"details": [
{
"code": "file_list",
"params": {
"files": "src/pymatgen/py.typed"
}
}
],
"max_points": 11
},
{
"key": "reproducible_environment",
"name": "Reproducible environment",
"detail": "lockfile",
"points": 10,
"status": "met",
"details": [
{
"code": "file_list",
"params": {
"files": "lockfile"
}
}
],
"max_points": 10
},
{
"key": "demonstrated_agent_practice",
"name": "Demonstrated agent practice",
"detail": "no data",
"points": 0,
"status": "excluded",
"details": [
{
"code": "no_data",
"params": {}
}
],
"max_points": 10
},
{
"key": "automated_maintenance",
"name": "Automated maintenance",
"detail": "no data",
"points": 0,
"status": "excluded",
"details": [
{
"code": "no_data",
"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": "good",
"name": "Code legibility for models",
"note": null,
"notes": [],
"value": 80,
"inputs": {
"primary_language": "Python",
"largest_source_bytes": 116065,
"source_files_sampled": 249,
"oversized_source_files": 9
},
"components": [
{
"key": "type_checkable_code",
"name": "Type-checkable code",
"detail": "Python with type-check config (src/pymatgen/py.typed)",
"points": 27,
"status": "partial",
"details": [
{
"code": "typecheck_config_language",
"params": {
"files": "src/pymatgen/py.typed",
"language": "Python"
}
}
],
"max_points": 45
},
{
"key": "manageable_file_sizes",
"name": "Manageable file sizes",
"detail": "9/249 source files over 60KB",
"points": 53,
"status": "partial",
"details": [
{
"code": "oversized_source_files",
"params": {
"kb": 60,
"sampled": 249,
"oversized": 9
}
}
],
"max_points": 55
}
]
},
{
"key": "ai_interfaces",
"band": "at_risk",
"name": "Machine-readable interfaces",
"note": null,
"notes": [],
"value": 40,
"inputs": {
"example_dirs": [
"examples"
],
"has_mcp_signal": false,
"api_schema_files": []
},
"components": [
{
"key": "api_schema_openapi_graphql_proto",
"name": "API schema (OpenAPI/GraphQL/proto)",
"detail": null,
"points": 0,
"status": "missed",
"details": [],
"max_points": 40
},
{
"key": "mcp_server",
"name": "MCP server",
"detail": null,
"points": 0,
"status": "missed",
"details": [],
"max_points": 20
},
{
"key": "runnable_examples",
"name": "Runnable examples",
"detail": "examples",
"points": 40,
"status": "met",
"details": [
{
"code": "file_list",
"params": {
"files": "examples"
}
}
],
"max_points": 40
}
]
}
],
"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": [],
"report_type": "repository",
"generated_at": "2026-07-18T14:27:57.670313Z",
"schema_version": "0.12.0",
"badge_url": "https://raw.githubusercontent.com/inspect-software/badges/main/v1/m/materialsproject/pymatgen.svg",
"full_name": "materialsproject/pymatgen",
"license_state": "custom",
"license_spdx": null
}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 v0.12.0 — full methodology · metrics wiki.
How one result sits in the wider record: aggregate statistics — PyPI.