DiffDock / data /protein_ligand_example.csv
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解决合并冲突,同步远程变更
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complex_name,protein_path,ligand_description,protein_sequence
1a0q,data/1a0q/1a0q_protein_processed.pdb,data/1a0q/1a0q_ligand.sdf,
1a0q_custom,data/1a0q/1a0q_protein_processed.pdb,COc(cc1)ccc1C#N,