Convert SMILES to PSMILES

Ramprasad-Group / psmiles

Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint

MIT License

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Convert SMILES to PSMILES #16

Open Rider99 opened 6 months ago

Rider99 commented 6 months ago

Hi@kuelumbus,

The polybert is a very powerful tool. So I am interested in it and want to use it. However now I am only have some SMILE strings, how can I convert SMILES to PSMILES?

Thanks for your help!