knowledgator
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IUPAC2SMILES-canonical-small

Text2Text Generation

text-generation-inference

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Ihor commited on Feb 15, 2024

Commit

e3692a5

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verified ·

1 Parent(s): 48e81af

iupac_to_smiles is correct function

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README.md +3 -3

README.md CHANGED Viewed

@@ -44,8 +44,8 @@ pip install chemical-converters
 from chemicalconverters import NamesConverter
 converter = NamesConverter(model_name="knowledgator/IUPAC2SMILES-canonical-small")
-print(converter.smiles_to_iupac('ethanol'))
-print(converter.smiles_to_iupac(['ethanol', 'ethanol', 'ethanol']))
 ```
 ```text
 ['CCO']
@@ -56,7 +56,7 @@ print(converter.smiles_to_iupac(['ethanol', 'ethanol', 'ethanol']))
 from chemicalconverters import NamesConverter
 converter = NamesConverter(model_name="knowledgator/IUPAC2SMILES-canonical-small")
-print(converter.smiles_to_iupac(["buta-1,3-diene" for _ in range(10)], num_beams=1,
                                 process_in_batch=True, batch_size=1000))
 ```
 ```text

 from chemicalconverters import NamesConverter
 converter = NamesConverter(model_name="knowledgator/IUPAC2SMILES-canonical-small")
+print(converter.iupac_to_smiles('ethanol'))
+print(converter.iupac_to_smiles(['ethanol', 'ethanol', 'ethanol']))
 ```
 ```text
 ['CCO']
 from chemicalconverters import NamesConverter
 converter = NamesConverter(model_name="knowledgator/IUPAC2SMILES-canonical-small")
+print(converter.iupac_to_smiles(["buta-1,3-diene" for _ in range(10)], num_beams=1,
                                 process_in_batch=True, batch_size=1000))
 ```
 ```text