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rxn4chemistry / rxn-chemutils

Chemistry-related Python utilities used in the RXN universe
https://rxn4chemistry.github.io/rxn-chemutils/
MIT License
21 stars 2 forks source link

add isomericSmiles arg for mol_to_smiles, and conversions to and from inchi #13

Closed A-Thakkar closed 2 years ago

A-Thakkar commented 2 years ago

for internal usage

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A-Thakkar commented 2 years ago

@cla-bot check

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