facebookresearch / esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins
MIT License
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Further CUDA support for IF-1 #386

Closed naailkhan28 closed 1 year ago

naailkhan28 commented 1 year ago

Resolves #374 - now model.sample takes an optional device argument. util.get_encoder_output and multichain_util.sample_sequence_in_complex will use the same device that the model is on already here.

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naailkhan28 commented 1 year ago

Updated sample_sequences.py and score_log_likelihoods.py, should be all set!

naailkhan28 commented 1 year ago

@brianhie I've added another commit that should fix this - it looks like it was an error in inverse_folding.util.get_sequence_loss

brianhie commented 1 year ago

LGTM! Confirmed scoring between default and --nogpu, will merge. Thanks @naailkhan28 for the contribution!