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coarse-graining / cgnet

learning coarse-grained force fields
BSD 3-Clause "New" or "Revised" License
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CGSchnet-compatible dataset loss #120

Closed nec4 closed 5 years ago

nec4 commented 5 years ago

Noticed that dataset_loss does not play well with embeddings and throws an error related to the embeddings being None. This should be a simple fix.

nec4 commented 5 years ago

update: see #121

brookehus commented 5 years ago

Done in #121