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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

Apply molecular features to multiple molecules #308

Closed geemi725 closed 3 years ago

geemi725 commented 3 years ago

Currently works with only one molecule per system.