jglaser/pdb_protein_ligand_complexes download history

jglaser/pdb_protein_ligand_complexes is a dataset on the Hugging Face Hub. In the last 30 days it was downloaded 260 times (49 in the last 7 days), and 7,341 times in total. It ranks #54,843 among datasets by monthly downloads.

How to use the data sets This dataset contains about 36,000 unique pairs of protein sequences and ligand SMILES, and the coordinates of their complexes from the PDB. SMILES are assumed to be tokenized by the regex from P. Schwaller. Ligand selection criteria Only ligands that

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