osbm commited on
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c64ff83
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1 Parent(s): 6aec986

Update gradio_app.py

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  1. gradio_app.py +6 -2
gradio_app.py CHANGED
@@ -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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-
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- output_file_path = f'experiments/inference/{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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  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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+
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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)