We actively encourage community contributions to torchchem. The first place to start getting involved is by running our examples locally. Afterwards, we encourage contributors to give a shot to improving our documentation. While we take effort to provide good docs, there's plenty of room for improvement. All docs are hosted on Github, either in README.md file, or in the docs/ directory.
Once you've got a sense of how the package works, we encourage the use of Github issues to discuss more complex changes, raise requests for new features or propose changes to the global architecture of torchchem. Once consensus is reached on the issue, please submit a PR with proposed modifications. All contributed code to torchchem will be reviewed by a member of the DeepChem team, so please make sure your code style and documentation style match our guidelines!
Every contribution, must be a pull request and must have adequate time for review by other committers.
torchchem uses yapf to autoformat code.
pip install yapf==0.22.0
cd <git_root>
yapf -i <python_files changed>Our integration tests will fail if code is not formatted correctly
torchchem uses NumPy style documentation. Please follow these conventions when documenting code, since we use Sphinx+Napoleon.
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