Contributions can take many forms, such as:

  • sharing bug reports or feature requests through the Issue Tracker

  • asking or answering questions, or otherwise joining in on Discussions

  • adding bug fixes, new features, or otherwise improving the code

  • adding or improving documentation

The second two options both involve making a pull request .

There are many existing guides on how to make a contribution to an open source project on GitHub, such as the MDAnalysis User Guide . In short, the steps are to:

  1. Fork the repository into your own account and download your fork

  2. Create a development environment from source, following the Installation instructions

  3. Create a new branch off the master branch with a meaningful name (e.g. git checkout -b fix-issue-39)

  4. Add your modifications to the code or documentation

  5. Add tests if modifying the code

  6. Commit and push changes to GitHub, and open a pull request

Some more resources are available here .