facebookresearch / esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins
MIT License
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Add multichain functionalities for inverse folding #224

Closed chloechsu closed 2 years ago

chloechsu commented 2 years ago

Add utilities and scripts to support designing one chain in a complex conditioning on the entire multichain backbone.

New utilities functions: esm/inverse_folding/multichain_utils.py

New notebook: examples/inverse_folding/notebook_multichain.ipynb

Expanded scripts with multichain options: examples/inverse_folding/sample_sequences.py examples/inverse_folding/score_log_likelihoods.py

Also included: Changes in esm/inverse_folding/utils.py and esm/inverse_folding/gvp_transformer.py to accomodate new entry points; Updated README in examples/inverse_folding/README.md