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diffdock / data /protein_ligand_example_csv.csv

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4a3f787 over 2 years ago

499 Bytes

	protein_path,ligand
	data/PDBBind_processed/6agt/6agt_protein.pdb,data/PDBBind_processed/6agt/6agt_ligand.sdf
	data/PDBBind_processed/6agt/6agt_protein.pdb,COc(cc1)ccc1C#N
	data/PDBBind_processed/6mo8/6mo8_protein.pdb,data/PDBBind_processed/6agt/6agt_ligand.mol2
	data/PDBBind_processed/6mo8/6mo8_protein.pdb,data/PDBBind_processed/6mo8/6mo8_ligand.sdf
	data/PDBBind_processed/6mo8/6mo8_protein.pdb,COc(cc1)ccc1C#N
	data/PDBBind_processed/6mo8/6mo8_protein.pdb,data/PDBBind_processed/6hld/6hld_ligand.mol2