Implement molecular features for CG graphs

ur-whitelab / hoomd-tf

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

https://hoomd-tf.readthedocs.io

MIT License

30 stars 8 forks source link

Implement molecular features for CG graphs #249

Closed geemi725 closed 3 years ago

pep8speaks commented 3 years ago

Hello @geemi725! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

There are currently no PEP 8 issues detected in this Pull Request. Cheers! :beers:

Comment last updated at 2020-10-05 18:07:28 UTC

whitead commented 3 years ago

@geemi725 This looks like a ton of work, nice job! Could you make sure to address those pep8 comments above about the if conditions? That's an important habit to get into.

geemi725 commented 3 years ago

Pep8 issues addressed, variable names are changed, all tests pass. Ready for review! @hgandhi2411