Generate one-hot encoding for bead-type interactions in a CG system

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

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Closed mehradans92 closed 3 years ago

mehradans92 commented 3 years ago

Added a method to compute one-hot encoding for bead-type interactions given mapped_pos_btype, mapped_nlist_btype and number_of_unique_btypes in a CG system.
Added test for the method.

pep8speaks commented 3 years ago

Hello @mehradans92! 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: