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Update gradio_app.py
Browse files- gradio_app.py +6 -2
gradio_app.py
CHANGED
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@@ -106,8 +106,12 @@ def function(model_name: str, mol_num: int, seed: int) -> tuple[PIL.Image, pd.Da
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scores = trainer.inference() # create scores_df out of this
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score_df = pd.DataFrame(scores, index=[0])
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import os
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new_path = f'{model_name}_denovo_mols.smi'
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os.rename(output_file_path, new_path)
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scores = trainer.inference() # create scores_df out of this
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score_df = pd.DataFrame(scores, index=[0])
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old_model_names = {
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"DrugGEN": "CrossLoss",
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"DrugGEN-NoTarget": "NoTarget",
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}
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output_file_path = f'experiments/inference/{old_model_names[model_name]}/inference_drugs.txt'
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import os
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new_path = f'{model_name}_denovo_mols.smi'
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os.rename(output_file_path, new_path)
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