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Update app.py
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app.py
CHANGED
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@@ -102,6 +102,7 @@ def smiles_node(state: State) -> State:
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name = state["query_name"]
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res = pcp.get_compounds(name, "name")
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smiles = res[0].smiles
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smiles_string = f'The SMILES string for the molecule is: {smiles}\n'
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except:
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smiles = "unknown"
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name = state["query_name"]
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res = pcp.get_compounds(name, "name")
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smiles = res[0].smiles
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+
smiles = smiles.replace('#','~')
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smiles_string = f'The SMILES string for the molecule is: {smiles}\n'
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except:
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smiles = "unknown"
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