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double-vinzhuww
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save prediction output pickle file of monomer (#156)
Co-authored-by: zhuww <[email protected]>
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inference.py

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@@ -478,6 +478,14 @@ def inference_monomer_model(args):
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f'{tag}_{args.model_name}_relaxed.pdb')
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with open(relaxed_output_path, 'w') as f:
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f.write(relaxed_pdb_str)
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if(args.save_prediction_result):
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# Save the prediction result .pkl
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prediction_result_path = os.path.join(
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args.output_dir, f'{tag}_{args.model_name}.pkl'
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)
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with open(prediction_result_path, "wb") as fp:
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pickle.dump(out, fp)
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if __name__ == "__main__":

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