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protein_ligand_contacts

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jglaser commited on Mar 12, 2022

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 This dataset contains more than 16,000 unique pairs of protein sequences and ligand SMILES with experimentally determined
 binding affinities and protein-ligand contacts (ligand atom/SMILES token vs. Calpha within 5 Angstrom). These
-are represented by a list that contains the positions of non-zero elements of the flattened, sparse (2048,512)
-sequence x smiles tokens matrix.
 It can be used for fine-tuning a language model.

 This dataset contains more than 16,000 unique pairs of protein sequences and ligand SMILES with experimentally determined
 binding affinities and protein-ligand contacts (ligand atom/SMILES token vs. Calpha within 5 Angstrom). These
+are represented by a list that contains the positions of non-zero elements of the flattened, sparse
+sequence x smiles tokens (2048x512) matrix.
 It can be used for fine-tuning a language model.