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Issues: datamol-io/datamol

I just want to say thanks
#185 by peiyaoli was closed Jun 16, 2023
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Issues list

Fixing does not appear to work for inferring valence & formal charge states from molecules from some PDB files
#231 opened Sep 3, 2024 by Croydon-Brixton
4
Adding JSON I/O for molecules
#230 opened Aug 13, 2024 by isty2e
1
Conformer generation error with specific RDKit version
#229 opened Jul 8, 2024 by SergeiNikolenko
1
Codecov action not working medium-priority
#228 opened Jun 10, 2024 by zhu0619
Datamol CLI enhancement New feature or request question Further information is requested
#200 opened Jun 18, 2023 by hadim
rdkit.Chem.GetSubstructMatch called in dm.scaffold.fuzzy_scaffolding takes rdkit mol as input, not str bug Something isn't working documentation Improvements or additions to documentation
#119 opened Jul 22, 2022 by colinrsmall
@maclandrol
3
dm.align.template_align modify the global rdkit behaviour bug Something isn't working low-priority
#117 opened Jul 19, 2022 by hadim
2
Refactor dm.scaffold.fuzzy_scaffolding enhancement New feature or request low-priority
#114 opened Jun 27, 2022 by hadim
2
ProTip! Updated in the last three days: updated:>2024-11-11.