transpolymer commited on
Commit
c3f06b5
·
verified ·
1 Parent(s): 3de6f45

Update prediction.py

Browse files
Files changed (1) hide show
  1. prediction.py +12 -1
prediction.py CHANGED
@@ -114,4 +114,15 @@ def predict_properties(smiles: str):
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  return results
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  except Exception as e:
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- return {"error": str(e)}
 
 
 
 
 
 
 
 
 
 
 
 
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  return results
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  except Exception as e:
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+ return {"error": str(e)}
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+
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+ # Show function to print the results
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+ def show(smiles: str):
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+ result = predict_properties(smiles)
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+
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+ if "error" in result:
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+ print(f"Error: {result['error']}")
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+ else:
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+ print("Predicted Properties for SMILES:", smiles)
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+ for key, value in result.items():
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+ print(f"{key}: {value}")