Public record
Software health reportschema 0.34.0 · metrics 2.10.0 · 2026-09-09 01:01 UTC

materialsproject / pymatgen-core

Pymatgen Core

HTML · Lobster · PythonCustom license★ 27 stars⑂ 38 forkssince Feb 2026View on GitHub ↗
KindLibraryCommand-line toolhow 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 (90/100) and lowest on Community & Adoption (62/100). It was last updated 9 days ago. 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
927 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-core2026.8.30708,152129 days agoabinitanalysiscrystaldiagramselectronicgaussianmaterialsnwchemphaseprojectqchemsciencestructurevasp

Metrics by category

Vitality

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

90Excellent · 21% of overall

Development activity

84Excellent
How it's scored
28.8/36Push recency — last push 9 days ago
27.7/36Commit cadence — 40/52 weeks with commits
18/18Commit volume — 505 commits in the last year
10/10OpenSSF Scorecard: Maintained — 30 commit(s) and 5 issue activity found in the last 90 days -- score normalized to 10
Inputs used
commits_last_year505
human_commit_share0.97
days_since_last_push9
active_weeks_last_year40

Release discipline

100Exceptional
How it's scored
27/27Ships releases — 12 releases published
36/36Release recency — latest release 9 days ago
27/27Release cadence — a release every ~16 days
0/10OpenSSF Scorecard: Signed-Releases — no data
Inputs used
releases_count12
latest_release_tagv2026.8.30
releases_from_tagsno
days_since_latest_release9
mean_days_between_releases16
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?

62Moderate · 17% of overall

Popularity & adoption

36Weak
How it's scored
23/60Stars — 27 stars
13.1/25Forks — 38 forks
0/15Watchers — 1 watchers
Inputs used
forks38
stars27
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_badges5
has_contributingno
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
78/80Monthly downloads — 708,152 downloads/month across pypi
0/20Registry dependents — not reported by this ecosystem
Inputs used
packagespymatgen-core
dependents—
ecosystemspypi
total_downloads—
monthly_downloads708,152
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?

87Excellent · 23% of overall

Maintainer resilience (bus factor)

83Excellent
How it's scored
43.2/54Bus factor — 4 contributor(s) cover half of all commits
16.3/22.5Commit distribution — top contributor authored 28% of commits
13.5/13.5Contributor breadth — 97 contributors
10/10OpenSSF Scorecard: Contributors — project has 27 contributing companies or organizations
Inputs used
bus_factor4
contributors_sampled97
top_contributor_share0.275

Issue & PR responsiveness

92Excellent
How it's scored
38.2/42Issue resolution — 91% of issues closed
29/30PR acceptance — 120/124 decided PRs merged
13/13Newcomer PR acceptance — 8/8 first-time contributors' PRs merged in 30d
12/15OpenSSF Scorecard: Code-Review — Found 25/30 approved changesets -- score normalized to 8
Inputs used
merged_prs120
open_issues1
closed_issues10
prs_merged_7d0
prs_decided_7d0
prs_merged_30d16
prs_decided_30d16
issue_closed_ratio0.909
closed_unmerged_prs4
first_time_authors_30d6
first_time_prs_merged_30d8
first_time_prs_decided_30d8

Ownership & stewardship

76Good
How it's scored
30/30Ownership backing — organization-owned
0/20Verified domain
21.3/25Owner reach — 927 followers of materialsproject
24.8/25Track record — 56 public repos, account ~15 yr old
Inputs used
followers927
owner_typeOrganization
is_verifiedno
owner_loginmaterialsproject
public_repos56
account_age_days5,557

Package maintenance

100Exceptional
How it's scored
25/25Published & resolvable — 1 package(s) on pypi
35/35Publish recency — latest publish 9 days ago
20/20Version history — 12 published versions
20/20Not deprecated — active, not deprecated or yanked
Inputs used
packagespymatgen-core
ecosystemspypi
any_deprecatedno
min_days_since_publish9

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 — pyproject.toml ([tool.ruff])
9.6/9.6Pre-commit hooks
0/6.4.editorconfig
20/20OpenSSF Scorecard: CI-Tests — 25 out of 25 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?

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 — branch protection not enabled on development/release branches
2.5/2.5CI-Tests — 25 out of 25 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
6/7.5Code-Review — Found 25/30 approved changesets -- score normalized to 8
2.5/2.5Contributors — project has 27 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 5 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
6.8/7.5Vulnerabilities — 1 existing vulnerabilities detected
Inputs used
sourceopenssf_scorecard
checks_evaluated17
scorecard_versionv5.5.0
checks_inconclusive1
scorecard_aggregate7.2
Excluded from scoring (no data or not applicable): 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_packages35
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-core@2026.8.30 runtime dependency closure — what installing the published package pulls in — 35 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.

66Good · 4% of overall

Agent context & guidance

80Excellent
How it's scored
45/45Agent instructions — AGENTS.md
0/15Machine-readable docs (llms.txt)
34.6/40Legible commit history — 63 of 97 human commits state their intent (structured subject or explanatory body)
Inputs used
has_llms_txtno
llms_txt_url—
legible_history_share0.649
agent_instruction_filesAGENTS.md
agent_instruction_max_bytes9,169

Verify loop (build / test / typecheck)

61Moderate
How it's scored
0/18One-command bootstrap
22/22Automated tests
11/11Lint / format config — pyproject.toml ([tool.ruff])
0/11Static type checking
10/10Reproducible environment — lockfile
10/10Demonstrated agent practice — 6 of the last 100 commits agent-authored or agent-credited
8/8Automated maintenance — 3 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
lockfilesuv.lock
has_dockerfileno
typed_languageno
bootstrap_files—
has_devcontainerno
has_linter_configyes
typecheck_configs—
agent_commit_share0.06
toolchain_manifests—
dependency_bot_commit_share0.03

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_bytes338,516
source_files_sampled401
oversized_source_files39

Key facts

27GitHub stars
97contributors
505commits, last 12 months
9days since last push
12releases
4bus factor
1open issues
PyPIpackage ecosystems

Data collection warnings

  • Star history unavailable: GitHub GraphQL error: Resource not accessible by personal access token

More detail

Star and fork history 0 ★ / 38 ⇿
0Stars
38Forks
11Releases

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.

01325383722026-022026-052026-08
Major 0Minor 0Patch 11
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 · 2026-09-09 01:00 UTC

10Binary-Artifactsno binaries found in the repo
0Branch-Protectionbranch protection not enabled on development/release branches
10CI-Tests25 out of 25 merged PRs checked by a CI test -- score normalized to 10
0CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
8Code-ReviewFound 25/30 approved changesets -- score normalized to 8
10Contributorsproject has 27 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 5 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
9Vulnerabilities1 existing vulnerabilities detected
Direct dependencies 20
RegistryPackageVersion constraintManifest
PyPIbibtexparser>=1,<2pyproject.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 152

Full resolved dependency set from the GitHub dependency graph: 19 direct and 133 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.

RegistryPackageVersionRelation
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PyPIjoblib1.5.3direct
PyPIlxml6.1.1direct
PyPImatplotlib3.11.1direct
PyPImonty2026.7.16direct
PyPInetworkx3.6.1direct
PyPInumpy2.4.6direct
PyPIorjson3.11.9direct
PyPIpalettable3.3.3direct
PyPIpandas3.0.5direct
PyPIplotly6.9.0direct
PyPIrequests2.34.2direct
PyPIscipy1.17.1direct
PyPIscipy1.18.0direct
PyPIspglib2.7.0direct
PyPIsympy1.14.0direct
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PyPItqdm4.69.0direct
PyPIuncertainties3.2.3direct
PyPIaiohappyeyeballs2.7.1indirect
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PyPIaiosignal1.4.0indirect
PyPIannotated-types0.8.0indirect
PyPIanyio4.14.2indirect
PyPIase3.29.0indirect
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PyPIattrs26.1.0indirect
PyPIbeautifulsoup44.15.0indirect
PyPIboto31.43.55indirect
PyPIbotocore1.43.55indirect
PyPIcertifi2026.7.22indirect
PyPIcffi2.1.0indirect
PyPIcfgv3.5.0indirect
PyPIcftime1.6.5indirect
PyPIcharset-normalizer3.4.9indirect
PyPIclick8.4.2indirect
PyPIcolorama0.4.6indirect
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PyPIiniconfig2.3.0indirect
PyPIinvoke3.0.3indirect
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PyPIpytest-cov7.1.0indirect
PyPIpytest-xdist3.8.0indirect
PyPIpython-dateutil2.9.0.post0indirect
PyPIpython-discovery1.5.0indirect
PyPIpytorch-lightning2.6.5indirect
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Dependency advisories 0

Installing pypi:pymatgen-core@2026.8.30 pulls in 35 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.

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 v0.34.0 — full methodology · metrics wiki.

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