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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

Migrate Nlist to RaggedTensors #224

Closed whitead closed 4 years ago

whitead commented 4 years ago

https://www.tensorflow.org/guide/ragged_tensor

whitead commented 4 years ago

Determined it would provide minimal memory savings for a great additional cost. It would be better to be able to esimtate nlist size at start of simulation.