Releases: datamol-io/datamol
Releases · datamol-io/datamol
0.11.1
🚀 Features
- Rewrite dm.viz.circle_grid with RDKit's canvas and support grid image for lasso highlight
- Better control of the circular layout in
circle_grid
- Add two new functions to remove salts and solvents from a molecule
🐛 Fixes
- Rewrite dm.viz.circle_grid with RDKit's canvas and support grid image for lasso highlight
- Better control of the circular layout in
circle_grid
0.11.0
🚀 Features
- New more robust datamol release process
🐛 Fixes
- Fix bugs and support atom indices as inputs in the lasso viz function
📦 Uncategorized
- Add newest RDKit version and remove oldest and tested with pytest
- fuzzy_scaffold can now return a pandas dataframe that is more readable.
- Minor change to background color of the tabs
0.9.8
This is an empty release. Its only purpose was to improve and automate the release process of datamol.
See CHANGELOGS.rst.