mgyigit commited on
Commit
078fcbb
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1 Parent(s): ed0dbd2

Update app.py

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Files changed (1) hide show
  1. app.py +2 -2
app.py CHANGED
@@ -81,14 +81,14 @@ def run_inference(mode: str, model_name: str, num_molecules: int, seed_num: str,
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  if len(smiles_list) > 100:
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  raise gr.Error("You have provided more than the allowed limit of 100 molecules. Please provide 100 or fewer.")
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  # Write the custom SMILES to a temporary file and update config
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- temp_input_file = "custom_input.smi"
 
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  with open(temp_input_file, "w") as f:
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  for s in smiles_list:
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  f.write(s + "\n")
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  config.inf_smiles = temp_input_file
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  config.sample_num = len(smiles_list)
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  # Always use a random seed for custom mode
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- config.seed = random.randint(0, 10000)
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  else:
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  # Classical Generation mode
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  config.sample_num = num_molecules
 
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  if len(smiles_list) > 100:
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  raise gr.Error("You have provided more than the allowed limit of 100 molecules. Please provide 100 or fewer.")
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  # Write the custom SMILES to a temporary file and update config
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+ config.seed = random.randint(0, 10000)
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+ temp_input_file = f"custom_input{config.seed}.smi"
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  with open(temp_input_file, "w") as f:
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  for s in smiles_list:
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  f.write(s + "\n")
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  config.inf_smiles = temp_input_file
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  config.sample_num = len(smiles_list)
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  # Always use a random seed for custom mode
 
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  else:
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  # Classical Generation mode
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  config.sample_num = num_molecules