alarv commited on
Commit
f7b00a7
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1 Parent(s): 1e25dc2

Update app.py

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Files changed (1) hide show
  1. app.py +9 -3
app.py CHANGED
@@ -23,10 +23,10 @@ def find_qsar_guid_from_prompt(prompt: str, qsar_guid_index: int) -> str:
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  qsar_guid_index: The qsar guid index to select given the prompt that the user gave, so if the user asks for solubility, the qsar guid should be possible_qsar_guids[0].key
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  """
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- return possible_qsar_guids[qsar_guid_index].key
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  @tool
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- def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> str:
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  """This machine learning model serves as an interface for the QSAR Toolbox API,
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  allowing users to input SMILES strings and select a QSAR model to generate predictive values for various properties.
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@@ -35,7 +35,13 @@ def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> str:
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  qsarModelGUID: a qsar model guid to use
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  """
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- return jaqpot.qsartoolbox_qsar_model_predict_sync(smiles, qsarModelGUID)
 
 
 
 
 
 
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  final_answer = FinalAnswerTool()
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  qsar_guid_index: The qsar guid index to select given the prompt that the user gave, so if the user asks for solubility, the qsar guid should be possible_qsar_guids[0].key
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  """
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+ return possible_qsar_guids[qsar_guid_index]['key']
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  @tool
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+ def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> Optional[str]:
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  """This machine learning model serves as an interface for the QSAR Toolbox API,
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  allowing users to input SMILES strings and select a QSAR model to generate predictive values for various properties.
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  qsarModelGUID: a qsar model guid to use
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  """
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+ results = jaqpot.qsartoolbox_qsar_model_predict_sync(smiles, qsarModelGUID)
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+ result = next((x for x in results if x["Value"] != ''), None)
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+
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+ if(result != None):
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+ return result['Value']
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+ else
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+ return None
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  final_answer = FinalAnswerTool()
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