Thank you for your interest in contributing to MolPy!
The full contributor handbook lives in the documentation — this file is just the entry point, so the rules have a single home and cannot drift:
- Development Setup — clone, editable install, pre-commit hooks, running tests
- Contributing Workflow — branches, conventional commits, the PR checklist
- Coding Style — ruff formatting, type hints, Google-style docstrings, the mutation contract
- Testing — pytest conventions, markers, coverage expectations
- Architecture Overview — module map and extension points, read before larger changes
git clone https://github.com/YOUR_USERNAME/molpy.git
cd molpy
pip install -e ".[dev]" # includes tox
prek install
# manual: uv run --extra dev tox -e lint|py
pytest tests/This project adheres to a Code of Conduct that all contributors are expected to follow. Please read CODE_OF_CONDUCT.md before contributing.
- General questions: GitHub Discussions
- Bug reports: GitHub Issues
- Documentation: molpy.molcrafts.org