How to convert Raw_SMILES to SMILES

thomas0809 / MolScribe

Robust Molecular Structure Recognition with Image-to-Graph Generation

MIT License

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How to convert Raw_SMILES to SMILES #11

Closed freewind2213 closed 11 months ago

freewind2213 commented 11 months ago

Hi, I'm trying to figure out how the USPTO data annotation file is generated. Given the Raw SMILES and mol file, how can I convert Raw_SMILES into SMILES column in the label file named train_680k.csv.

Thx!!!

thomas0809 commented 11 months ago

Please see #2

freewind2213 commented 11 months ago

Got it , excellent work!!!