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Update README.md
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Ruibin-Liu authored Mar 13, 2024
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Expand Up @@ -137,3 +137,19 @@ mol2 = read_mol2(test_file)
atoms_df = mol2['ATOM'] # The 'ATOM' category as a DataFrame.
bonds_df = mol2['BOND'] # The 'BOND' category as a DataFrame.
```

## Contributing

1. Fork this repository
2. Create a branch for your fix of an issue/feature/doc (`git checkout -b my-fix`)
3. Stage your changes, run `pre-commit`, and run `pytest` until every thing looks fine
4. Commit your changes (`git commit -am 'Added some feature/fix/doc'`)
5. Push to the branch (`git push origin my-fix`)
6. Create new Pull Request

For code quality control, we use `pre-commit` hooks for formatting and type hints.

Try your best to add test cases for bug fixes and new features. We use `pytest` for testing.

For documentation, we should try to follow the [Google Python docstrings style](https://sphinxcontrib-napoleon.readthedocs.io/en/latest/example_google.html).

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