jannisborn commited on
Commit
f9d0119
1 Parent(s): 1f4fe6e
Files changed (1) hide show
  1. app.py +2 -2
app.py CHANGED
@@ -45,13 +45,13 @@ def main(property: str, smiles: str, smiles_file: str):
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  if "Molformer" in property:
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  version = property.split(" ")[-1].split("(")[-1].split(")")[0]
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  property = property.split(" ")[0]
 
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  algo, config = MOLECULE_PROPERTY_PREDICTOR_FACTORY[property.lower()]
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  kwargs = (
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  {"algorithm_version": "v0"} if property in MODEL_PROP_DESCRIPTION.keys() else {}
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  )
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- if property in MOLFORMER_VERSIONS.keys():
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  kwargs["algorithm_version"] = version
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-
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  model = algo(config(**kwargs))
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  if smiles is not None and smiles_file is not None:
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  raise ValueError("Pass either smiles or smiles_file, not both.")
 
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  if "Molformer" in property:
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  version = property.split(" ")[-1].split("(")[-1].split(")")[0]
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  property = property.split(" ")[0]
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+ print(property, version)
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  algo, config = MOLECULE_PROPERTY_PREDICTOR_FACTORY[property.lower()]
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  kwargs = (
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  {"algorithm_version": "v0"} if property in MODEL_PROP_DESCRIPTION.keys() else {}
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  )
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+ if property.lower() in MOLFORMER_VERSIONS.keys():
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  kwargs["algorithm_version"] = version
 
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  model = algo(config(**kwargs))
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  if smiles is not None and smiles_file is not None:
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  raise ValueError("Pass either smiles or smiles_file, not both.")