Public record
Software health reportschema 0.34.0 · metrics 2.10.0 · 2026-09-19 09:20 UTC

chemosim-lab / ProLIF

Interaction Fingerprints for protein-ligand complexes and more

PythonApache-2.0★ 540 stars⑂ 104 forkssince Jan 2020View on GitHub ↗

chemosim-lab/ProLIF holds a health index of 78 out of 100, placing it in the Good band. It scores highest on Engineering Quality (86/100) and lowest on Security (50/100). It was last updated 48 days ago. A single contributor accounts for most of its recent work.

78
overall / 100
Good

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.

78
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 67 is calibrated to 78 on the published index scale (record calibration 2026-08-02).

Ownership

ChemSenSim LabOrganization
31 followers14 public repossince Jul 2019

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

Package ecosystems

RegistryPackageVersionDownloads / moVersionsLast publishTags
PyPIprolif2.2.178,9343053 days agosciencechemistrydrug-designcheminformaticschemoinformaticsmolecular-dynamicsinteraction-fingerprint

Metrics by category

Vitality

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

62Moderate · 21% of overall
How it's scored
18/36Push recencylast push 48 days ago
7.6/36Commit cadence11/52 weeks with commits
13.4/18Commit volume30 commits in the last year
9/10OpenSSF Scorecard: Maintained9 commit(s) and 2 issue activity found in the last 90 days -- score normalized to 9
Inputs used
commits_last_year30
human_commit_share1
days_since_last_push48
active_weeks_last_year11
How it's scored
27/27Ships releases16 releases published
36/36Release recencylatest release 53 days ago
12.6/27Release cadencea release every ~149.8 days
0/10OpenSSF Scorecard: Signed-Releasesno data
Inputs used
releases_count16
latest_release_tagv2.2.1
releases_from_tagsno
days_since_latest_release53
mean_days_between_releases149.8
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?

72Good · 17% of overall
How it's scored
44.3/60Stars540 stars
16.8/25Forks104 forks
6/15Watchers13 watchers
Inputs used
forks104
stars540
watchers13
growth_stateunverified
growth_factor_pct100
growth_unverified_reasonno_history
How it's scored
22.5/22.5README
22.5/22.5Licenserecognized license (Apache-2.0)
18/18CONTRIBUTING guide
0/13.5Code of conduct
0/7.2Issue template
0/6.3PR template
Inputs used
has_readmeyes
has_licenseyes
readme_badges0
has_contributingyes
has_issue_templateno
has_code_of_conductno
readme_badge_services
has_pull_request_templateno
How it's scored
65.3/80Monthly downloads78,934 downloads/month across pypi
0/20Registry dependentsnot reported by this ecosystem
Inputs used
packagesprolif
dependents
ecosystemspypi
total_downloads
monthly_downloads78,934
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?

64Moderate · 23% of overall
How it's scored
9/54Bus factor1 contributor(s) cover half of all commits
2.7/22.5Commit distributiontop contributor authored 88% of commits
13.5/13.5Contributor breadth18 contributors
10/10OpenSSF Scorecard: Contributorsproject has 5 contributing companies or organizations
Inputs used
bus_factor1
contributors_sampled18
top_contributor_share0.882
How it's scored
38.2/42Issue resolution91% of issues closed
23.7/30PR acceptance87/110 decided PRs merged
0/13Newcomer PR acceptanceno first-time contributor's PR decided in 30d
3/15OpenSSF Scorecard: Code-ReviewFound 6/28 approved changesets -- score normalized to 2
Inputs used
merged_prs87
open_issues18
closed_issues183
prs_merged_7d0
prs_decided_7d0
prs_merged_30d0
prs_decided_30d0
issue_closed_ratio0.91
closed_unmerged_prs23
first_time_authors_30d0
first_time_prs_merged_30d0
first_time_prs_decided_30d0
Excluded from scoring (no data or not applicable): Newcomer PR acceptance. Remaining weights renormalized.
How it's scored
30/30Ownership backingorganization-owned
0/20Verified domain
10.8/25Owner reach31 followers of chemosim-lab
20.6/25Track record14 public repos, account ~7 yr old
Inputs used
followers31
owner_typeOrganization
is_verifiedno
owner_loginchemosim-lab
public_repos14
account_age_days2,614

Package maintenance

100Exceptional
How it's scored
25/25Published & resolvable1 package(s) on pypi
35/35Publish recencylatest publish 53 days ago
20/20Version history30 published versions
20/20Not deprecatedactive, not deprecated or yanked
Inputs used
packagesprolif
ecosystemspypi
any_deprecatedno
min_days_since_publish53

Engineering Quality

Are baseline engineering and documentation practices in place?

86Excellent · 19% of overall
How it's scored
24/24CI workflows6 workflow(s)
24/24Tests present
16/16Linter configpyproject.toml ([tool.ruff], [tool.black], [tool.isort])
0/9.6Pre-commit hooks
0/6.4.editorconfig
20/20OpenSSF Scorecard: CI-Tests20 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_configno

Documentation

90Excellent
How it's scored
30/30README
25/25Documentation directory
15/15Documentation / homepage sitehttps://prolif.readthedocs.io
10/10Repository description
10/10Topics7 topics
0/10Wiki
Inputs used
topicsmolecular-dynamics, rdkit, drug-design, docking, cheminformatics, mdanalysis, drug-discovery
has_wikino
homepagehttps://prolif.readthedocs.io
docs_sitehttps://prolif.readthedocs.io
has_readmeyes
has_docs_diryes
has_descriptionyes

Security

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

50Moderate · 16% of overall
How it's scored
7.5/7.5Binary-Artifactsno binaries found in the repo
3/7.5Branch-Protectionbranch protection is not maximal on development and all release branches
2.5/2.5CI-Tests20 out of 20 merged PRs checked by a CI test -- score normalized to 10
0/2.5CII-Best-Practicesno effort to earn an OpenSSF best practices badge detected
1.5/7.5Code-ReviewFound 6/28 approved changesets -- score normalized to 2
2.5/2.5Contributorsproject has 5 contributing companies or organizations
0/10Dangerous-Workflowdangerous workflow patterns detected
0/7.5Dependency-Update-Toolno update tool detected
0/5Fuzzingproject is not fuzzed
2.5/2.5Licenselicense file detected
6.8/7.5Maintained9 commit(s) and 2 issue activity found in the last 90 days -- score normalized to 9
5/5Packagingpackaging workflow detected
0/5Pinned-Dependenciesdependency not pinned by hash detected -- score normalized to 0
5/5SASTSAST tool is run on all commits
0/5Security-Policysecurity policy file not detected
0/7.5Signed-Releasesno data
0/7.5Token-Permissionsdetected GitHub workflow tokens with excessive permissions
0/7.5Vulnerabilities54 existing vulnerabilities detected
Inputs used
sourceopenssf_scorecard
checks_evaluated17
scorecard_versionv5.5.0
checks_inconclusive1
scorecard_aggregate3.7
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 advisoriesno direct dependency carries a known advisory
25/25Indirect dependencies free of known advisoriesno indirect dependency carries a known advisory
0/40No advisories left outstandingno advisory carries a publication date
Inputs used
sourceosv
advisories0
affected_packages0
assessed_packages29
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:prolif@2.2.1 runtime dependency closure — what installing the published package pulls in — 29 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.

57Moderate · 4% of overall
How it's scored
0/45Agent instructionsno CLAUDE.md / AGENTS.md / editor rules
0/15Machine-readable docs (llms.txt)
26.7/40Legible commit history50 of 100 human commits state their intent (structured subject or explanatory body)
Inputs used
has_llms_txtno
llms_txt_url
legible_history_share0.5
agent_instruction_files
agent_instruction_max_bytes
How it's scored
0/18One-command bootstrap
22/22Automated tests
11/11Lint / format configpyproject.toml ([tool.ruff], [tool.black], [tool.isort])
11/11Static type checkingprolif/py.typed
10/10Reproducible environmentlockfile
0/10Demonstrated agent practiceno agent-authored commits among the last 100
0/8Automated maintenanceno automated dependency updates observed
0/10OpenSSF Scorecard: Pinned-Dependenciesdependency 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_configsprolif/py.typed
agent_commit_share0
toolchain_manifests
dependency_bot_commit_share0
How it's scored
27/45Type-checkable codePython with type-check config (prolif/py.typed)
55/55Manageable file sizes0/53 source files over 60KB
Inputs used
primary_languagePython
largest_source_bytes54,761
source_files_sampled53
oversized_source_files0
How it's scored
0/40API schema (OpenAPI/GraphQL/proto)not applicable to this kind of software
0/20MCP servernot applicable to this kind of software
40/40Runnable examplesnotebooks
Inputs used
example_dirsnotebooks
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

540GitHub stars
18contributors
30commits, last 12 months
48days since last push
16releases
1bus factor
18open 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 ★ / 104 ⇿
0Stars
104Forks
15Releases

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.

02040608010010052021-012023-112026-09
Major 2Minor 3Patch 8

Each point covers 6 days.

OpenSSF Scorecard 3.7 / 10
3.7aggregate

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 · 2026-09-19 09:19 UTC

10Binary-Artifactsno binaries found in the repo
4Branch-Protectionbranch protection is not maximal on development and all 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
2Code-ReviewFound 6/28 approved changesets -- score normalized to 2
10Contributorsproject has 5 contributing companies or organizations
0Dangerous-Workflowdangerous workflow patterns detected
0Dependency-Update-Toolno update tool detected
0Fuzzingproject is not fuzzed
10Licenselicense file detected
9Maintained9 commit(s) and 2 issue activity found in the last 90 days -- score normalized to 9
10Packagingpackaging workflow detected
0Pinned-Dependenciesdependency not pinned by hash detected -- score normalized to 0
10SASTSAST tool is run on all commits
0Security-Policysecurity policy file not detected
n/aSigned-Releasesno releases found
0Token-Permissionsdetected GitHub workflow tokens with excessive permissions
0Vulnerabilities54 existing vulnerabilities detected
Direct dependencies 11
RegistryPackageVersion constraintManifest
PyPIpandas>=1.1.0pyproject.toml
PyPInumpy>=1.13.3pyproject.toml
PyPIscipy>=1.3.0pyproject.toml
PyPImdanalysis>=2.2.0,<3pyproject.toml
PyPImdanalysis>=2.7.0,<3pyproject.toml
PyPInetworkx>=2.5.0pyproject.toml
PyPItqdmpyproject.toml
PyPImultiprocesspyproject.toml
PyPIdillpyproject.toml
PyPIpsutilpyproject.toml
PyPIgemmi>=0.7.5pyproject.toml
All dependencies 161

Full resolved dependency set from the GitHub dependency graph: 13 direct and 148 indirect (transitive) packages. The transitive closure is complete when the repository commits a lockfile.

RegistryPackageVersionRelation
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Dependency advisories 0

Installing pypi:prolif@2.2.1 pulls in 29 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

Feedback

Spotted something off in this report, or have thoughts to share? Wrong measurements, missed tooling, ideas, questions — anything is welcome. Every message is read and gets a response.

The message is kept through sign-in.

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 statisticsPyPI.