Consider adding simple scaffold from to datamol. - Githubissues

datamol-io / datamol

Molecular Processing Made Easy.

https://docs.datamol.io

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Consider adding simple scaffold from to datamol. #105

Closed maclandrol closed 2 years ago

maclandrol commented 2 years ago

Basically a wrapper around this: https://www.rdkit.org/docs/source/rdkit.Chem.Scaffolds.MurckoScaffold.html

hadim commented 2 years ago

We already have this: https://github.com/datamol-org/datamol/blob/944e701336284d71639eb6c54af38f8b10239e03/datamol/mol.py#L1001

Are you looking for something else?