Skip to content

Issues: datamol-io/datamol

I just want to say thanks
#185 by peiyaoli was closed Jun 16, 2023
Closed 2
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

8 Open 100 Closed
8 Open 100 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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! Adding no:label will show everything without a label.