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+356,data/PDBBind_processed/6o5g/6o5g_protein_processed.pdb,data/PDBBind_processed/6o5g/6o5g_ligand.mol2, +357,data/PDBBind_processed/6r7d/6r7d_protein_processed.pdb,data/PDBBind_processed/6r7d/6r7d_ligand.sdf, +358,data/PDBBind_processed/6pya/6pya_protein_processed.pdb,data/PDBBind_processed/6pya/6pya_ligand.mol2, +359,data/PDBBind_processed/6ffe/6ffe_protein_processed.pdb,data/PDBBind_processed/6ffe/6ffe_ligand.sdf, +360,data/PDBBind_processed/6d3x/6d3x_protein_processed.pdb,data/PDBBind_processed/6d3x/6d3x_ligand.sdf, +361,data/PDBBind_processed/6gj8/6gj8_protein_processed.pdb,data/PDBBind_processed/6gj8/6gj8_ligand.mol2, +362,data/PDBBind_processed/6mo2/6mo2_protein_processed.pdb,data/PDBBind_processed/6mo2/6mo2_ligand.mol2, diff --git a/inference.py b/inference.py index 065c1a9..251bc3f 100644 --- a/inference.py +++ b/inference.py @@ -185,7 +185,6 @@ for idx, orig_complex_graph in tqdm(enumerate(test_loader)): except Exception as e: print("Failed on", orig_complex_graph["name"], e) - raise e failures += 1 print(f'Failed for {failures} complexes')