Datamol

Latest version: v0.12.5

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0.8.8

**Added:**

- A model named Molt5
- Existing plugins to a the `plugin.yml` file
- Documents missing featurizers

**Changed:**

- Different docs style, with Tabs on the top for `Overview`, `Usage`,
`Tutorials`, `API`, `Contribute`, `License`
- Small updates in docs

**Fixed:**

- Fix 43: Pretrained models should now work better with
`batch_transform`, allowing efficient parallelization, while
retaining all cached features.

**Authors:**

- DomInvivo
- dessygil
- maclandrol

0.8.7

**Added:**

- Support for `ignore_padding` in Graphormer
- More flexibility overall for graphormer embeddings

**Changed:**

- Phased out rdchem.Mol, rdchem.Atom and rdkit.Bond in favor of
datamol versions
- Fully automated release process.

**Fixed:**

- Random logging in cache coming from testing if an input is a
molecule
- Some small typos in doc strings
- Naming of JTVAE models
- Fix issue 37 by making WeaveFeaturizer faster
- Usage card for rdkit and fingerprints/descriptors featurizers

**Authors:**

- Hadrien Mary
- maclandrol
- rbyrne-momatx

0.8.6

**Added:**

- Support for batch transformation in `MoleculeTransformer` for
calculators that implements `batch_compute`

**Changed:**

- Pull request template for better directive.

**Authors:**

- maclandrol

0.8.5

**Authors:**

0.8.4

**Added:**

- Add Google Analytics support.

**Removed:**

- Remove support for the `np.float128` dtype (issue 26)

**Fixed:**

- Color bug of the search input bar

**Authors:**

- Cas Wognum
- Honore Hounwanou
- maclandrol

0.8.3

**Added:**

- More documentation and tutorials
- pip dependencies and optional dependencies in pyproject.toml
- Github issue templates

**Changed:**

- Updated all occurrences of old molfeat links with new ones.
- Documentation and readme

**Removed:**

- duplicated CODEOWNER file

**Fixed:**

- Bug in serialization of transformers with a serializable calculator
- Minor typos and function definition
- Links in pyprojects

**Authors:**

- Cas Wognum
- Hadrien Mary
- Honore Hounwanou
- Saurav Maheshkar
- Therence
- maclandrol

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