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SurfDock

protein-ligand-docking

virtual-screening

diffusion-model

Model card Files Files and versions

SurfDock / model /datasets

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__init__.py

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conformer_matching.py

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esm_embedding_preparation.py

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esm_embeddings_to_pt.py

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esm_pocket_embeddings_to_pt.py

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get_pocket_embedding.py

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mol2graph_rdmda_res.py

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pdbbind.py

38.8 kB
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pdbbind_lm_embedding_preparation.py

3.03 kB
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process_mols.py

30 kB
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