Fabian commited on
Commit
dae9496
·
1 Parent(s): f203922

improved description

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Files changed (1) hide show
  1. app.py +4 -4
app.py CHANGED
@@ -31,15 +31,15 @@ class ModelWrapper(nn.Module):
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  # Initialize the wrapped model as a global variable
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  wrapper = ModelWrapper(model)
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- def get_attribution_values(smiles: str) -> str:
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  """
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- Predicts the inhibitory constant for a given molecule and gives the contribution of each smiles symbol.
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  Args:
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  smiles (str): The smiles string to analyze
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  Returns:
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- str: A markdown table with the smiles symbols and their attribution values
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  """
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  try:
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  mol = Chem.MolFromSmiles(smiles)
@@ -87,7 +87,7 @@ def get_attribution_values(smiles: str) -> str:
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  # Create the Gradio interface
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  demo = gr.Interface(
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- fn=get_attribution_values,
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  inputs=gr.Textbox(placeholder="Enter smiles to analyze..."),
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  outputs=gr.Textbox(lines=10), # Changed from gr.JSON() to gr.Textbox()
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  title="Explainable Inhibitory Constant Prediction for Delta Opioid Receptor",
 
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  # Initialize the wrapped model as a global variable
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  wrapper = ModelWrapper(model)
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+ def analyse_inhibitory_constant_for_delta_opioid_receptor(smiles: str) -> str:
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  """
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+ Analyses the inhibitory constant for a given molecule to delta opioid receptor and gives the contribution of each smiles symbol.
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  Args:
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  smiles (str): The smiles string to analyze
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  Returns:
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+ str: The inhibitory constant and a markdown table with the smiles symbols and their attribution values for the inhibitory constant prediction
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  """
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  try:
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  mol = Chem.MolFromSmiles(smiles)
 
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  # Create the Gradio interface
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  demo = gr.Interface(
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+ fn=analyse_inhibitory_constant_for_delta_opioid_receptor,
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  inputs=gr.Textbox(placeholder="Enter smiles to analyze..."),
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  outputs=gr.Textbox(lines=10), # Changed from gr.JSON() to gr.Textbox()
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  title="Explainable Inhibitory Constant Prediction for Delta Opioid Receptor",