Datamol

Latest version: v0.12.5

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0.9.4

**Fixed:**

- 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`.

**Fixed:**

- Color bug of the search input bar

**Authors:**

- Emmanuel Noutahi
- Hadrien Mary
- Honoré Hounwanou
- dessygil

0.9.2

**Added:**

- 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

**Fixed:**

- Nav Bar with Tabs
- Typos in docs

**Authors:**

- Cas Wognum
- Emmanuel Noutahi

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