- Fix wrong image output for lasso viz function. Make it consistent with `dm.to_image()` and rdkit. - Avoid global `IPython` import so it's not an hard datamol dependency. - Add `importlib-resources` dep in the datamol pypi package.
**Authors:**
- Hadrien Mary
0.9.3
**Added:**
- added a feature that highlights substructures of 2D molecular images
**Changed:**
- Update CNAME to docs.datamol.io - Replace all occurrences of doc.datamol.io by docs.datamol.io - Switch from `pkg_resources` to `importlib.resources` for loading resources. - Enable python 3.11 on the CI. - Relocatem `datamol/data.py` to `datamol/data/\_\_init\_\_.py`.
- A multi-mol2 file reader that converts into rdkit objects
**Fixed:**
- Updated the logging in `\_sanifix4.py` to use the RDKit logger
**Authors:**
- Cas - Hadrien Mary - Pakman450 - Therence1
0.9.1
**Changed:**
- moved `CODE_OF_CONDUCT.md`, `CODEOWNDERS`, `CONTRIBUTING.md` and `SECURITY.md` to `.github/` dir - Improve and automate the release process. - Adapt the logo and colors to the new branding. - Replace `datamol-org` to `datamol-io` everywhere in the codebase due to GH org rename.
**Authors:**
- Hadrien Mary - Saurav Maheshkar
0.9.0
**Changed:**
- Add `TypeAlias` types to `datamol.types.\*`. - Drop `setup.py` in favour of `pyproject.toml` only. - Replace unmaintained `appdirs` by maintained `platformdirs`. - Enable weekly tests on `main` branch.
**Fixed:**
- Add missing fcfp func in fingerprint functions dict
**Authors:**
- Hadrien Mary - michelml
0.8.9
**Added:**
- Support for new featurizers (GPT2-Zinc480M-87M and Roberta-Zinc480M-102M) - ETL scripts/notebooks for transparency