3 datasets found

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  • Protein Data Bank

    The Protein Data Bank contains 13,308 complexes of ligands bound to target proteins with structures determined by X-ray crystallography.

  • PDBbind dataset

    The dataset used for benchmarking protein-ligand interaction prediction models.

  • AIMEE dataset

    The dataset used in this paper for identifying inhibitors against SARS-CoV-2 3CL protease.