molssi-bse/basis_set_exchange
Grade a repo

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/ 100

GradeC

Good shape overall. A few tweaks would push it into the top tier.

Top 42% of 5,156 graded repos

A repository for quantum chemistry basis sets

Documentation69
Engineering66
Health100
Python199BSD-3-Clause1mo ago

Top fixes

Highest-impact changes first, ranked by point weight

13 to address
  1. 1
    Tests18pt

    Wire your tests to a documented command (e.g. a test script in your build config) so the suite is reproducible.

  2. 2
    CI/CD14pt

    Add a lint step to catch style issues automatically.

  3. 3
    CI/CD14pt

    Add `tsc --noEmit`, `mypy`, or `cargo check` to catch type errors before they merge.

  4. 4
    CI/CD14pt

    Upload coverage to Codecov, Coveralls, or report it with `--coverage` flags.

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Scorecard

Every check, grouped by category and sorted worst-first

Documentation

69

Contributing guide5pt0

No CONTRIBUTING.md found (−47 pts base + up to −53 pts more for content).

→ Add a CONTRIBUTING.md telling newcomers how to get involved. Include setup, code style, test, and PR instructions.

Install and run instructions9pt45

README documents how to install the project.

README12pt100

README is present.

License6pt100

Licensed under BSD-3-Clause.

Engineering

66

Reproducibility6pt0

No dependency lockfile found (−70 pts).

→ Commit poetry.lock, uv.lock, pdm.lock, Pipfile.lock, conda-lock.yml, or another lockfile for your Python dependency manager.

Issue and PR templates6pt0

No issue or PR templates found (−100 pts).

→ Add .github/ISSUE_TEMPLATE/ with bug_report.md and feature_request.md to guide contributors. It dramatically improves issue quality.

Tests18pt85

Test files detected (basis_set_exchange/pytest.ini).

CI/CD14pt85

CI is configured (.github/workflows/build_docs.yml).

Linting and formatting5pt100

Linter or formatter configured ([tool.ruff] / [tool.black] in pyproject.toml).

Project health

100

Dependency manifest6pt100

Dependency manifest found (pyproject.toml).

Repository metadata5pt100

Repository has a description.

Activity5pt100

Actively maintained (pushed within the last month).

Housekeeping3pt100

.gitignore present.

Repository health signals

Activity, community, and responsiveness at scan time

Activity

  • -
    Commits (30d / 90d)
  • 56
    Forks
  • 2
    Releaseslatest 5mo ago

Community

  • -
    Community health
  • -
    authors own >50% of commits
  • 199
    Watchers

Responsiveness

  • 54d 12h
    Median issue response
  • 3h
    Median PR merge time
  • 101
    Open issues
Repository files9 root entries
  • .github
    Good: CI is configured (.github/workflows/build_docs.yml).
  • basis_set_exchange
    Good: Test files detected (basis_set_exchange/pytest.ini).
  • docs
  • .gitignore
    Good: .gitignore present.
  • .yapfignore
  • CHANGELOG
  • LICENSE
    Good: Licensed under BSD-3-Clause.
  • pyproject.toml
    Good: Dependency manifest found (pyproject.toml).
  • README.md
    Good: README is present.
    Good: README is well structured with multiple sections.
    Good: README includes screenshots or visuals. Great for first impressions.
    Good: README has code examples.
    Good: README links to a live demo or deployed app.
    Good: README includes status badges.
    Good: README documents how to install the project.
    Issue: No run or usage instructions found (−45 pts).Fix: Add a section showing how to start or use the project.
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