Public record
Software health reportschema 0.34.0 · metrics 2.10.0 · 2026-09-10 22:34 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.

Python · PolarCustom license★ 1,963 stars⑂ 966 forkssince Oct 2011View on GitHub ↗
KindLibraryCommand-line toolhow this is determined
#materials#science#materials-science#materials-informatics#python

materialsproject/pymatgen holds a health index of 98 out of 100, placing it in the Exceptional band. It scores highest on Community & Adoption (91/100) and lowest on Security (78/100). It was last updated 10 days ago. 5 contributors account for most of its recent work.

98
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.

98
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 86 is calibrated to 98 on the published index scale (record calibration 2026-08-02).

Ownership

Materials ProjectOrganization
926 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
PyPIpymatgen2026.5.4763,367411129 days agoabinitvaspanalysiscrystaldiagramselectronicgaussianmaterialsnwchemphaseprojectqchemsciencestructure

Metrics by category

Vitality

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

85Excellent · 21% of overall

Development activity

81Excellent
How it's scored
28.8/36Push recency — last push 10 days ago
24.2/36Commit cadence — 35/52 weeks with commits
18/18Commit volume — 265 commits in the last year
10/10OpenSSF Scorecard: Maintained — 30 commit(s) and 3 issue activity found in the last 90 days -- score normalized to 10
Inputs used
commits_last_year265
human_commit_share0.82
days_since_last_push10
active_weeks_last_year35

Release discipline

90Excellent
How it's scored
27/27Ships releases — 100 releases published
27/36Release recency — latest release 129 days ago
27/27Release cadence — a release every ~42.2 days
0/10OpenSSF Scorecard: Signed-Releases — no data
Inputs used
releases_count100
latest_release_tagv2026.5.4
releases_from_tagsno
days_since_latest_release129
mean_days_between_releases42.2
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?

91Excellent · 17% of overall

Popularity & adoption

90Excellent
How it's scored
53.4/60Stars — 1,963 stars
24.9/25Forks — 966 forks
11.4/15Watchers — 112 watchers
Inputs used
forks966
stars1,963
watchers112
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history

Community health

86Excellent
How it's scored
22.5/22.5README
16.9/22.5License — license file present, not a recognized license
18/18CONTRIBUTING guide
13.5/13.5Code of conduct
0/7.2Issue template
6.3/6.3PR template
Inputs used
has_readmeyes
has_licenseyes
readme_badges5
has_contributingyes
has_issue_templateno
has_code_of_conductyes
readme_badge_servicescodecov.io, github.com, shields.io
has_pull_request_templateyes

Ecosystem adoption (downloads)

98Exceptional
How it's scored
78.4/80Monthly downloads — 763,367 downloads/month across pypi
0/20Registry dependents — not reported by this ecosystem
Inputs used
packagespymatgen
dependents—
ecosystemspypi
total_downloads—
monthly_downloads763,367
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?

86Excellent · 23% of overall

Maintainer resilience (bus factor)

85Excellent
How it's scored
45.9/54Bus factor — 5 contributor(s) cover half of all commits
15.8/22.5Commit distribution — top contributor authored 30% of commits
13.5/13.5Contributor breadth — 97 contributors
10/10OpenSSF Scorecard: Contributors — project has 28 contributing companies or organizations
Inputs used
bus_factor5
contributors_sampled97
top_contributor_share0.297

Issue & PR responsiveness

84Excellent
How it's scored
38.6/42Issue resolution — 92% of issues closed
26.8/30PR acceptance — 2,715/3,041 decided PRs merged
13/13Newcomer PR acceptance — 1/1 first-time contributors' PRs merged in 30d
6/15OpenSSF Scorecard: Code-Review — Found 11/26 approved changesets -- score normalized to 4
Inputs used
merged_prs2,715
open_issues125
closed_issues1,395
prs_merged_7d0
prs_decided_7d0
prs_merged_30d2
prs_decided_30d2
issue_closed_ratio0.918
closed_unmerged_prs326
first_time_authors_30d1
first_time_prs_merged_30d1
first_time_prs_decided_30d1

Ownership & stewardship

76Good
How it's scored
30/30Ownership backing — organization-owned
0/20Verified domain
21.3/25Owner reach — 926 followers of materialsproject
24.8/25Track record — 56 public repos, account ~15 yr old
Inputs used
followers926
owner_typeOrganization
is_verifiedno
owner_loginmaterialsproject
public_repos56
account_age_days5,559

Package maintenance

100Exceptional
How it's scored
25/25Published & resolvable — 1 package(s) on pypi
35/35Publish recency — latest publish 129 days ago
20/20Version history — 411 published versions
20/20Not deprecated — active, not deprecated or yanked
Inputs used
packagespymatgen
ecosystemspypi
any_deprecatedno
min_days_since_publish129

Engineering Quality

Are baseline engineering and documentation practices in place?

91Excellent · 19% of overall

Engineering practices

92Excellent
How it's scored
24/24CI workflows — 4 workflow(s)
24/24Tests present
16/16Linter config — pyproject.toml ([tool.ruff])
9.6/9.6Pre-commit hooks
6.4/6.4.editorconfig
12/20OpenSSF Scorecard: CI-Tests — 9 out of 15 merged PRs checked by a CI test -- score normalized to 6
Inputs used
has_ciyes
has_testsyes
has_editorconfigyes
has_linter_configyes
has_precommit_configyes

Documentation

90Excellent
How it's scored
30/30README
25/25Documentation directory
15/15Documentation / homepage site — https://pymatgen.org
10/10Repository description
10/10Topics — 5 topics
0/10Wiki
Inputs used
topicsmaterials, science, materials-science, materials-informatics, python
has_wikino
homepagehttps://pymatgen.org
docs_sitehttps://pymatgen.org
has_readmeyes
has_docs_diryes
has_descriptionyes

Security

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

78Good · 16% of overall

Security posture

72Good
How it's scored
7.5/7.5Binary-Artifacts — no binaries found in the repo
0/7.5Branch-Protection — no data
1.5/2.5CI-Tests — 9 out of 15 merged PRs checked by a CI test -- score normalized to 6
0/2.5CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected
3/7.5Code-Review — Found 11/26 approved changesets -- score normalized to 4
2.5/2.5Contributors — project has 28 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 3 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
1/5SAST — SAST tool is not run on all commits -- score normalized to 2
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
4.5/7.5Vulnerabilities — 4 existing vulnerabilities detected
Inputs used
sourceopenssf_scorecard
checks_evaluated16
scorecard_versionv5.5.0
checks_inconclusive2
scorecard_aggregate7.2
Excluded from scoring (no data or not applicable): Branch-Protection, Signed-Releases. Remaining weights renormalized.

Dependency advisories

100Exceptional
How it's scored
35/35Direct dependencies free of known advisories — no direct dependency carries a known advisory
25/25Indirect dependencies free of known advisories — no indirect dependency carries a known advisory
0/40No advisories left outstanding — no advisory carries a publication date
Inputs used
sourceosv
advisories0
affected_packages0
assessed_packages36
unassessed_packages0
affected_by_severitynone
direct_affected_packages0
Excluded from scoring (no data or not applicable): No advisories left outstanding. Remaining weights renormalized. Matched the pypi:pymatgen@2026.5.4 runtime dependency closure — what installing the published package pulls in — 36 packages. Reachability is not analyzed.

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.

83Excellent · 4% of overall

Agent context & guidance

66Good
How it's scored
45/45Agent instructions — AGENTS.md, CLAUDE.md
0/15Machine-readable docs (llms.txt)
21.5/40Legible commit history — 33 of 82 human commits state their intent (structured subject or explanatory body)
Inputs used
has_llms_txtno
llms_txt_url—
legible_history_share0.402
agent_instruction_filesAGENTS.md, CLAUDE.md
agent_instruction_max_bytes1,668

Verify loop (build / test / typecheck)

90Excellent
How it's scored
18/18One-command bootstrap — docs/Makefile
22/22Automated tests
11/11Lint / format config — pyproject.toml ([tool.ruff])
11/11Static type checking — src/pymatgen/py.typed
10/10Reproducible environment — lockfile
10/10Demonstrated agent practice — 11 of the last 100 commits agent-authored or agent-credited
8/8Automated maintenance — 16 of the last 100 commits are automated dependency updates
0/10OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0
Inputs used
has_nixno
has_testsyes
lockfilesGemfile.lock, uv.lock
has_dockerfileno
typed_languageno
bootstrap_filesdocs/Makefile
has_devcontainerno
has_linter_configyes
typecheck_configssrc/pymatgen/py.typed
agent_commit_share0.11
toolchain_manifests—
dependency_bot_commit_share0.16

Code legibility for models

80Excellent
How it's scored
27/45Type-checkable code — Python with type-check config (src/pymatgen/py.typed)
53/55Manageable file sizes — 9/252 source files over 60KB
Inputs used
primary_languagePython
largest_source_bytes116,065
source_files_sampled252
oversized_source_files9

Machine-readable interfaces

100Exceptional
How it's scored
0/40API schema (OpenAPI/GraphQL/proto) — not applicable to this kind of software
0/20MCP server — not applicable to this kind of software
40/40Runnable examples — examples
Inputs used
example_dirsexamples
has_mcp_signalno
api_schema_files—
interfaces_expected_of—
Excluded from scoring (no data or not applicable): API schema (OpenAPI/GraphQL/proto), MCP server. Remaining weights renormalized.

Key facts

1,963GitHub stars
97contributors
265commits, last 12 months
10days since last push
100releases
5bus factor
125open issues
PyPI, RubyGemspackage ecosystems

Data collection warnings

  • Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token
  • pypi download statistics for 'pymatgen' unavailable this scan (stats endpoint failed after retries); adoption may be under-evidenced
  • pypi download figures for pymatgen carried forward from the previous scan (stats endpoint unavailable this scan)

More detail

Star and fork history 0 ★ / 966 ⇿
0Stars
966Forks
100Releases

When each star and fork was added, collected from GitHub and bucketed by day. Cumulative growth sits directly above the daily additions it is made of, so the two read against each other: steady organic accretion looks nothing like an abrupt, short-lived burst. Where that difference is measurable, it is reported as growth authenticity.

02004006008001,000927112012-052019-072026-08
Major 0Minor 0Patch 97

Each point covers 14 days.

OpenSSF Scorecard 7.2 / 10
7.2aggregate

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 · 2026-09-10 22:33 UTC

10Binary-Artifactsno binaries found in the repo
n/aBranch-Protectioninternal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md
6CI-Tests9 out of 15 merged PRs checked by a CI test -- score normalized to 6
0CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
4Code-ReviewFound 11/26 approved changesets -- score normalized to 4
10Contributorsproject has 28 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 3 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
2SASTSAST tool is not run on all commits -- score normalized to 2
10Security-Policysecurity policy file detected
n/aSigned-Releasesno releases found
10Token-PermissionsGitHub workflow tokens follow principle of least privilege
6Vulnerabilities4 existing vulnerabilities detected
Direct dependencies 1
RegistryPackageVersion constraintManifest
PyPIpymatgen-core>=2026.8.30pyproject.toml
All dependencies 352

Full resolved dependency set from the GitHub dependency graph: 1 direct and 351 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.

RegistryPackageVersionRelation
PyPIpymatgen-core2026.7.27direct
PyPIaiohappyeyeballs2.7.1indirect
PyPIaiohttp3.14.3indirect
PyPIaiosignal1.4.0indirect
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PyPIasync-lru2.3.0indirect
PyPIattrs26.1.0indirect
PyPIbabel2.18.0indirect
PyPIbeautifulsoup44.15.0indirect
PyPIbibtexparser1.4.4indirect
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PyPIboto31.43.58indirect
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PyPIcertifi2026.7.22indirect
PyPIcffi2.1.0indirect
PyPIcfgv3.5.0indirect
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PyPIcharset-normalizer3.4.9indirect
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PyPIcontourpy1.3.3indirect
PyPIcoverage7.15.2indirect
PyPIcuda-bindings13.3.1indirect
PyPIcuda-pathfinder1.6.0indirect
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PyPIwebcolors25.10.0indirect
PyPIwebencodings0.5.1indirect
PyPIwebsocket-client1.9.0indirect
PyPIxmltodict1.0.4indirect
PyPIxxhash3.8.1indirect
PyPIyarl1.24.5indirect
PyPIzipp4.1.0indirect
RubyGemsactivesupport7.2.3.1indirect
RubyGemsaddressable2.9.0indirect
RubyGemsbase640.3.0indirect
RubyGemsbenchmark0.5.0indirect
RubyGemsbigdecimal4.0.1indirect
RubyGemscoffee-script2.4.1indirect
RubyGemscoffee-script-source1.11.1indirect
RubyGemscolorator1.1.0indirect
RubyGemscommonmarker0.23.10indirect
RubyGemsconcurrent-ruby1.3.7indirect
RubyGemsconnection_pool3.0.2indirect
RubyGemsdnsruby1.70.0indirect
RubyGemsdrb2.2.3indirect
RubyGemsem-websocket0.5.3indirect
RubyGemsethon0.16.0indirect
RubyGemseventmachine1.2.7indirect
RubyGemsexecjs2.8.1indirect
RubyGemsfaraday2.14.3indirect
RubyGemsfaraday-net_http3.4.4indirect
RubyGemsffi1.15.5indirect
RubyGemsforwardable-extended2.6.0indirect
RubyGemsgemoji3.0.1indirect
RubyGemsgithub-pages228indirect
RubyGemsgithub-pages-health-check1.17.9indirect
RubyGemshtml-pipeline2.14.3indirect
RubyGemshttp_parser.rb0.8.0indirect
RubyGemsi18n1.14.8indirect
RubyGemsjekyll3.9.3indirect
RubyGemsjekyll-avatar0.7.0indirect
RubyGemsjekyll-coffeescript1.1.1indirect
RubyGemsjekyll-commonmark1.4.0indirect
RubyGemsjekyll-commonmark-ghpages0.4.0indirect
RubyGemsjekyll-default-layout0.1.4indirect
RubyGemsjekyll-feed0.15.1indirect
RubyGemsjekyll-gist1.5.0indirect
RubyGemsjekyll-github-metadata2.13.0indirect
RubyGemsjekyll-include-cache0.2.1indirect
RubyGemsjekyll-mentions1.6.0indirect
RubyGemsjekyll-optional-front-matter0.3.2indirect
RubyGemsjekyll-paginate1.1.0indirect
RubyGemsjekyll-readme-index0.3.0indirect
RubyGemsjekyll-redirect-from0.16.0indirect
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RubyGemsjekyll-seo-tag2.8.0indirect
RubyGemsjekyll-sitemap1.4.0indirect
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RubyGemsjson2.21.2indirect
RubyGemskramdown2.3.2indirect
RubyGemskramdown-parser-gfm1.1.0indirect
RubyGemsliquid4.0.4indirect
RubyGemslisten3.8.0indirect
RubyGemslogger1.7.0indirect
RubyGemsmercenary0.3.6indirect
RubyGemsminima2.5.1indirect
RubyGemsminitest5.27.0indirect
RubyGemsnet-http0.9.1indirect
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RubyGemsoctokit4.25.1indirect
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RubyGemspublic_suffix4.0.7indirect
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Dependency advisories 0

Installing pypi:pymatgen@2026.5.4 pulls in 36 packages, direct and transitive: 0 carry known advisories, of which 0 are direct dependencies.

No known advisories affect the assessed dependencies.

An advisory means the version recorded in the dependency graph falls inside an advisory’s affected range. Reachability is not analysed, and the graph includes development and test pins — a finding may concern tooling rather than shipped software.

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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 v0.34.0 — full methodology · metrics wiki.

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