Datamol

Latest version: v0.12.5

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Page 14 of 15

0.2.7

**Added:**

- Add a test to monitor datamol import duration.

**Changed:**

- Add rms cutoff option during conformers generation.
- Refactor conformer cluster function.

**Authors:**

- Hadrien Mary

0.2.6

**Added:**

- Include stub files for rdkit generated using stubgen from mypy.

**Authors:**

- Hadrien Mary

0.2.5

**Added:**

- Add `to_smi` and `from_smi` in the IO module.
- Support filelike object in io module.
- Add kekulization to to_mol

**Changed:**

- Switch tests of the IO module to regular functions.

**Deprecated:**

- In the IO module, use `urlpath` instead of `file_uri` to follow
`fsspec` conventions.

**Fixed:**

- Fix bug in read_excel where sheet_name wasnt being used.

**Authors:**

- Emmanuel Noutahi
- Hadrien Mary

0.2.4

**Changed:**

- Constraint rdkit to 2020.09 to get `rdBase.LogStatus()`

**Authors:**

- Hadrien Mary

0.2.3

**Changed:**

- Better rdkit log disable/enable.

**Authors:**

- Hadrien Mary

0.2.2

**Added:**

- Test that execute the notebooks.

**Fixed:**

- Force rdkit \>=2020.03.6 to avoid thread-related bug in
`rdMolStandardize`

**Authors:**

- Hadrien Mary

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