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Browse files- inference_app.py +3 -2
inference_app.py
CHANGED
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@@ -39,8 +39,9 @@ def vina(
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for i in range(max_num_poses):
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sdf_file = MOLFile()
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sdf_file.set_structure(docked_ligand[i])
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-
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-
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return output_files
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for i in range(max_num_poses):
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sdf_file = MOLFile()
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sdf_file.set_structure(docked_ligand[i])
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output_file = output_folder / f"docked_ligand_{i}.sdf"
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sdf_file.write(output_file)
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output_files.append(output_file)
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return output_files
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