Public record
Software health reportschema 0.11.0 · metrics 2.10.0 · 2026-07-16 01:31 UTC

materialsproject / pymatgen-core

Pymatgen Core

HTML · PythonCustom license★ 21 stars⑂ 29 forkssince Feb 2026View on GitHub ↗
KindLibraryhow this is determined
#analysis#dft#materials#science

materialsproject/pymatgen-core holds a health index of 94 out of 100, placing it in the Exceptional band. It scores highest on Vitality (93/100) and lowest on AI Readiness (60/100). It was last updated today. 4 contributors account for most of its recent work.

94
overall / 100
Exceptional

Software health index

Metrics are grouped into weighted categories on one standardized 1–100 scale. Overall starts as their weighted mean, calibrated against the distribution of the public record so bands carry percentile meaning; when public evidence triggers the High-Risk Jurisdiction Policy, the rating is adjusted and receives an At Risk ceiling of 34.

94
Exceptional93-100The record's top tier (≈ top 5%); essentially all checked criteria met
Excellent80-92Strong across the board; minor gaps
Good65-79Healthy; gaps are limited and manageable
Moderate50-64Acceptable with notable gaps; review recommended
Weak35-49Material weaknesses across several areas
At Risk20-34Significant weaknesses; adoption warrants caution
Critical1-19Severe problems (abandoned, single-maintainer, no hygiene)
VitalityCommunity &AdoptionSustainability &GovernanceEngineeringQualitySecurityAI Readiness

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.

The weighted overall 81 is calibrated to 94 on the published index scale (record calibration 2026-08-02).

Ownership

Materials ProjectOrganization
908 followers56 public repossince Jun 2011

This repository is backed by an organization — shared, accountable stewardship that can outlive any single maintainer.

Package ecosystems

RegistryPackageVersionDownloads / moVersionsLast publishTags
PyPIpymatgen-core2026.5.18525,225657 days agoabinitanalysiscrystaldiagramselectronicgaussianmaterialsnwchemphaseprojectqchemsciencestructurevasp

Metrics by category

Vitality

Is the project alive — is code being written and are releases shipping?

93Exceptional · 21% of overall

Development activity

89Excellent
How it's scored
36/36Push recency — last push 0 days ago
24.9/36Commit cadence — 36/52 weeks with commits
18/18Commit volume — 485 commits in the last year
10/10OpenSSF Scorecard: Maintained — 30 commit(s) and 4 issue activity found in the last 90 days -- score normalized to 10
Inputs used
commits_last_year485
human_commit_share—
days_since_last_push0
active_weeks_last_year36

Release discipline

100Exceptional
How it's scored
27/27Ships releases — 7 releases published
36/36Release recency — latest release 0 days ago
27/27Release cadence — a release every ~23.6 days
0/10OpenSSF Scorecard: Signed-Releases — no data
Inputs used
releases_count7
latest_release_tagv2026.7.16
releases_from_tagsno
days_since_latest_release0
mean_days_between_releases23.6
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?

60Moderate · 17% of overall

Popularity & adoption

33At Risk
How it's scored
21.1/60Stars — 21 stars
12.1/25Forks — 29 forks
0/15Watchers — 1 watchers
Inputs used
forks29
stars21
watchers1
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history

Community health

66Good
How it's scored
22.5/22.5README
16.9/22.5License — license file present, not a recognized license
0/18CONTRIBUTING guide
13.5/13.5Code of conduct
0/7.2Issue template
6.3/6.3PR template
Inputs used
has_readmeyes
has_licenseyes
readme_badges—
has_contributingno
has_issue_templateno
has_code_of_conductyes
readme_badge_services—
has_pull_request_templateyes

Ecosystem adoption (downloads)

95Exceptional
How it's scored
76.3/80Monthly downloads — 525,225 downloads/month across pypi
0/20Registry dependents — not reported by this ecosystem
Inputs used
packagespymatgen-core
dependents—
ecosystemspypi
total_downloads—
monthly_downloads525,225
unverified_packages_excluded—
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?

90Excellent · 23% of overall

Maintainer resilience (bus factor)

83Excellent
How it's scored
43.2/54Bus factor — 4 contributor(s) cover half of all commits
16.4/22.5Commit distribution — top contributor authored 27% of commits
13.5/13.5Contributor breadth — 100 contributors
10/10OpenSSF Scorecard: Contributors — project has 25 contributing companies or organizations
Inputs used
bus_factor4
contributors_sampled100
top_contributor_share0.271

Issue & PR responsiveness

86Excellent
How it's scored
36.8/42Issue resolution — 88% of issues closed
28.9/30PR acceptance — 79/82 decided PRs merged
0/13Newcomer PR acceptance — no first-time contributor's PR decided in 30d
9/15OpenSSF Scorecard: Code-Review — Found 17/28 approved changesets -- score normalized to 6
Inputs used
merged_prs79
open_issues1
closed_issues7
prs_merged_7d—
prs_decided_7d—
prs_merged_30d—
prs_decided_30d—
issue_closed_ratio0.875
closed_unmerged_prs3
first_time_authors_30d—
first_time_prs_merged_30d—
first_time_prs_decided_30d—
Excluded from scoring (no data or not applicable): Newcomer PR acceptance. Remaining weights renormalized.

Ownership & stewardship

95Exceptional
How it's scored
30/30Ownership backing — organization-owned
0/20Verified domain — verified-domain status not read for this organization
21.3/25Owner reach — 908 followers of materialsproject
24.8/25Track record — 56 public repos, account ~15 yr old
Inputs used
followers908
owner_typeOrganization
is_verified—
owner_loginmaterialsproject
public_repos56
account_age_days5,502
Excluded from scoring (no data or not applicable): Verified domain. Remaining weights renormalized.

Package maintenance

100Exceptional
How it's scored
25/25Published & resolvable — 1 package(s) on pypi
35/35Publish recency — latest publish 57 days ago
20/20Version history — 6 published versions
20/20Not deprecated — active, not deprecated or yanked
Inputs used
packagespymatgen-core
ecosystemspypi
any_deprecatedno
min_days_since_publish57

Engineering Quality

Are baseline engineering and documentation practices in place?

86Excellent · 19% of overall

Engineering practices

94Exceptional
How it's scored
24/24CI workflows — 3 workflow(s)
24/24Tests present
16/16Linter config
9.6/9.6Pre-commit hooks
0/6.4.editorconfig
20/20OpenSSF Scorecard: CI-Tests — 20 out of 20 merged PRs checked by a CI test -- score normalized to 10
Inputs used
has_ciyes
has_testsyes
has_editorconfigno
has_linter_configyes
has_precommit_configyes

Documentation

75Good
How it's scored
30/30README
0/25Documentation directory
15/15Documentation / homepage site — https://pymatgen.org
10/10Repository description
10/10Topics — 4 topics
10/10Wiki
Inputs used
topicsanalysis, dft, materials, science
has_wikiyes
homepagehttps://pymatgen.org
docs_sitehttps://pymatgen.org
has_readmeyes
has_docs_dirno
has_descriptionyes

Security

Are visible security and supply-chain practices strong, without unresolved high-risk jurisdiction exposure?

71Good · 16% of overall

Security posture

71Good
How it's scored
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — branch protection not enabled on development/release branches
2.5/2.5CI-Tests — 20 out of 20 merged PRs checked by a CI test -- score normalized to 10
0/2.5CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected
4.5/7.5Code-Review — Found 17/28 approved changesets -- score normalized to 6
2.5/2.5Contributors — project has 25 contributing companies or organizations
10/10Dangerous-Workflow — no dangerous workflow patterns detected
7.5/7.5Dependency-Update-Tool — update tool detected
0/5Fuzzing — project is not fuzzed
2.2/2.5License — license file detected
7.5/7.5Maintained — 30 commit(s) and 4 issue activity found in the last 90 days -- score normalized to 10
5/5Packaging — packaging workflow detected
0/5Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
0/5SAST — SAST tool is not run on all commits -- score normalized to 0
5/5Security-Policy — security policy file detected
0/7.5Signed-Releases — no data
7.5/7.5Token-Permissions — GitHub workflow tokens follow principle of least privilege
7.5/7.5Vulnerabilities — 0 existing vulnerabilities detected
Inputs used
sourceopenssf_scorecard
checks_evaluated17
scorecard_versionv5.5.0
checks_inconclusive1
scorecard_aggregate7.1
Excluded from scoring (no data or not applicable): Signed-Releases. Remaining weights renormalized.

AI Readiness

How well is the repo equipped to be developed and maintained with AI coding agents? Carries a deliberately small weight (4%): agent tooling is a real maintenance signal, but a repository with none can still reach 100/100.

60Moderate · 4% of overall

Agent context & guidance

75Good
How it's scored
45/45Agent instructions — CLAUDE.md
0/15Machine-readable docs (llms.txt)
0/40Legible commit history — no data
Inputs used
has_llms_txtno
llms_txt_url—
legible_history_share—
agent_instruction_filesCLAUDE.md
agent_instruction_max_bytes7,864
Excluded from scoring (no data or not applicable): Legible commit history. Remaining weights renormalized.

Verify loop (build / test / typecheck)

52Moderate
How it's scored
0/18One-command bootstrap
22/22Automated tests
11/11Lint / format config
0/11Static type checking
10/10Reproducible environment — lockfile
0/10Demonstrated agent practice — no data
0/8Automated maintenance — no data
0/10OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
Inputs used
has_nixno
has_testsyes
lockfilesuv.lock
has_dockerfileno
typed_languageno
bootstrap_files—
has_devcontainerno
has_linter_configyes
typecheck_configs—
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.

Code legibility for models

50Moderate
How it's scored
0/45Type-checkable code — HTML without a type-check config
49.7/55Manageable file sizes — 39/401 source files over 60KB
Inputs used
primary_languageHTML
largest_source_bytes333,669
source_files_sampled401
oversized_source_files39

Key facts

21GitHub stars
100contributors
485commits, last 12 months
0days since last push
7releases
4bus factor
1open issues
PyPIpackage ecosystems

More detail

OpenSSF Scorecard 7.1 / 10
7.1aggregate

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).Scorecard v5.5.0 · 2026-07-16 01:30 UTC

10Binary-Artifactsno binaries found in the repo
0Branch-Protectionbranch protection not enabled on development/release branches
10CI-Tests20 out of 20 merged PRs checked by a CI test -- score normalized to 10
0CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
6Code-ReviewFound 17/28 approved changesets -- score normalized to 6
10Contributorsproject has 25 contributing companies or organizations
10Dangerous-Workflowno dangerous workflow patterns detected
10Dependency-Update-Toolupdate tool detected
0Fuzzingproject is not fuzzed
9Licenselicense file detected
10Maintained30 commit(s) and 4 issue activity found in the last 90 days -- score normalized to 10
10Packagingpackaging workflow detected
0Pinned-Dependenciesdependency not pinned by hash detected -- score normalized to 0
0SASTSAST tool is not run on all commits -- score normalized to 0
10Security-Policysecurity policy file detected
n/aSigned-Releasesno releases found
10Token-PermissionsGitHub workflow tokens follow principle of least privilege
10Vulnerabilities0 existing vulnerabilities detected
Direct dependencies 20
RegistryPackageVersion constraintManifest
PyPIbibtexparser—pyproject.toml
PyPIjoblib>=1.3.2pyproject.toml
PyPIlxml>=6.1.0pyproject.toml
PyPImatplotlib>=3.8pyproject.toml
PyPImonty>=2026.7.16pyproject.toml
PyPInetworkx>=2.7pyproject.toml
PyPInumpy>=1.25.0,<3pyproject.toml
PyPInumpy>=2.1.0,<3pyproject.toml
PyPIorjson>=3.10,<4pyproject.toml
PyPIpalettable>=3.3.3pyproject.toml
PyPIpandas>=2pyproject.toml
PyPIplotly>=5.0pyproject.toml
PyPIrequests>=2.32.5pyproject.toml
PyPIscipy>=1.13.0pyproject.toml
PyPIscipy>=1.14.1pyproject.toml
PyPIspglib>=2.5pyproject.toml
PyPIsympy>=1.3pyproject.toml
PyPItabulate>=0.9.0pyproject.toml
PyPItqdm>=4.67.3pyproject.toml
PyPIuncertainties>=3.1pyproject.toml
All dependencies 154

Full resolved dependency set from the GitHub dependency graph: 19 direct and 135 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.

RegistryPackageVersionRelation
PyPIbibtexparser1.4.4direct
PyPIjoblib1.5.3direct
PyPIlxml6.1.1direct
PyPImatplotlib3.11.0direct
PyPImonty2026.7.16direct
PyPInetworkx3.6.1direct
PyPInumpy2.4.6direct
PyPIorjson3.11.9direct
PyPIpalettable3.3.3direct
PyPIpandas3.0.3direct
PyPIplotly6.9.0direct
PyPIrequests2.34.2direct
PyPIscipy1.17.1direct
PyPIscipy1.18.0direct
PyPIspglib2.7.0direct
PyPIsympy1.14.0direct
PyPItabulate0.10.0direct
PyPItqdm4.68.4direct
PyPIuncertainties3.2.3direct
PyPIaiohappyeyeballs2.7.1indirect
PyPIaiohttp3.14.1indirect
PyPIaiosignal1.4.0indirect
PyPIannotated-types0.7.0indirect
PyPIanyio4.14.2indirect
PyPIase3.29.0indirect
PyPIast-serialize0.6.0indirect
PyPIattrs26.1.0indirect
PyPIbeautifulsoup44.15.0indirect
PyPIboto31.43.46indirect
PyPIbotocore1.43.46indirect
PyPIcertifi2026.6.17indirect
PyPIcffi2.1.0indirect
PyPIcfgv3.5.0indirect
PyPIcftime1.6.5indirect
PyPIcharset-normalizer3.4.9indirect
PyPIclick8.4.2indirect
PyPIcolorama0.4.6indirect
PyPIcontourpy1.3.3indirect
PyPIcoverage7.15.1indirect
PyPIcuda-bindings13.3.1indirect
PyPIcuda-pathfinder1.5.6indirect
PyPIcuda-toolkit13.0.3.0indirect
PyPIcycler0.12.1indirect
PyPIdistlib0.4.3indirect
PyPIdistro1.9.0indirect
PyPIdnspython2.8.0indirect
PyPIexecnet2.1.2indirect
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PyPIh110.16.0indirect
PyPIh5py3.16.0indirect
PyPIhf-xet1.5.1indirect
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PyPIhttpcore1.0.9indirect
PyPIhttpx0.28.1indirect
PyPIhuggingface-hub1.23.0indirect
PyPIidentify2.6.19indirect
PyPIidna3.18indirect
PyPIiniconfig2.3.0indirect
PyPIinvoke3.0.3indirect
PyPIjinja23.1.6indirect
PyPIjiter0.16.0indirect
PyPIjmespath1.1.0indirect
PyPIkiwisolver1.5.0indirect
PyPIlibrt0.13.0indirect
PyPIlightning2.6.1indirect
PyPIlightning-utilities0.15.3indirect
PyPIllvmlite0.48.0indirect
PyPImarkupsafe3.0.3indirect
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PyPImatgl4.0.3indirect
PyPImoyopy0.14.0indirect
PyPImpmath1.3.0indirect
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PyPImypy2.2.0indirect
PyPImypy-extensions1.1.0indirect
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PyPInvidia-cusparselt-cu130.8.1indirect
PyPInvidia-nccl-cu132.29.7indirect
PyPInvidia-nvjitlink13.3.33indirect
PyPInvidia-nvshmem-cu133.4.5indirect
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PyPIpillow12.3.0indirect
PyPIplatformdirs4.10.0indirect
PyPIpluggy1.6.0indirect
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PyPIpropcache0.5.2indirect
PyPIpsutil7.2.2indirect
PyPIpycparser3.0indirect
PyPIpydantic2.13.4indirect
PyPIpydantic-core2.46.4indirect
PyPIpygments2.20.0indirect
PyPIpymatgen2026.5.4indirect
PyPIpymatgen-core2026.7.16indirect
PyPIpymongo4.17.0indirect
PyPIpyparsing3.3.2indirect
PyPIpyright1.1.411indirect
PyPIpytest9.1.1indirect
PyPIpytest-cov7.1.0indirect
PyPIpytest-split0.11.0indirect
PyPIpytest-xdist3.8.0indirect
PyPIpython-dateutil2.9.0.post0indirect
PyPIpython-discovery1.4.4indirect
PyPIpytorch-lightning2.6.5indirect
PyPIpyyaml6.0.3indirect
PyPIpyzeo0.2.0indirect
PyPIruamel-yaml0.19.1indirect
PyPIruff0.15.21indirect
PyPIs3transfer0.19.1indirect
PyPIscikit-learn1.9.0indirect
PyPIseekpath2.2.1indirect
PyPIsetuptools83.0.0indirect
PyPIsix1.17.0indirect
PyPIsniffio1.3.1indirect
PyPIsoupsieve2.8.4indirect
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PyPIthreadpoolctl3.6.0indirect
PyPItomli2.4.1indirect
PyPItorch2.13.0indirect
PyPItorch-geometric2.8.0indirect
PyPItorchdata0.11.0indirect
PyPItorchmetrics1.9.0indirect
PyPItrainstation1.2indirect
PyPItriton3.7.1indirect
PyPItyping-extensions4.16.0indirect
PyPItyping-inspection0.4.2indirect
PyPItzdata2026.3indirect
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Raw JSON report machine-readable

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Scores are signals, not warranties. They reflect publicly visible practices on GitHub — not a code audit, and not a security guarantee.

Missing data is excluded and weights renormalized, never scored as zero. Methodology is versioned and open: metrics v2.10.0, schema v0.11.0 — full methodology · metrics wiki.

How one result sits in the wider record: aggregate statistics — PyPI.