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claude-scientific-skills/scientific-skills/diffdock/assets/batch_template.csv
2025-11-13 18:50:42 -08:00

5 lines
410 B
CSV

complex_name,protein_path,ligand_description,protein_sequence
example_1,protein1.pdb,CC(=O)Oc1ccccc1C(=O)O,
example_2,,COc1ccc(C#N)cc1,MSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFSYGVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITHGMDELYK
example_3,protein3.pdb,ligand3.sdf,