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CONTRIBUTING.md

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Contributing to AtomGen

Thanks for your interest in contributing to AtomGen!

To submit PRs, please fill out the PR template along with the PR. If the PR fixes an issue, don't forget to link the PR to the issue!

Pre-commit hooks

Once the python virtual environment is setup, you can run pre-commit hooks using:

pre-commit run --all-files

Coding guidelines

For code style, we recommend the PEP 8 style guide.

For docstrings we use numpy format.

We use ruff for code formatting and static code analysis. Ruff checks various rules including flake8. The pre-commit hooks show errors which you need to fix before submitting a PR.

Last but not the least, we use type hints in our code which is then checked using mypy.