Exmol

Latest version: v3.1.0

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2.0.0dev1

**Pre-release**

* Added surrogate model explanation method
* Added support for attributing ECFP, MACCS fingerprints, rdkit descriptors and plotting them
* Example notebooks for new method

1.1.0

Removed need for `model(s)` functions to take both SMILES and SELFIES.

1.0.2

* Switched to bulk Tanimoto to improve speed
* Tightened chemed api limit

1.0.1

* Added new quiet mode to disable progress bars

1.0.0

Possibly Breaking changes
* Switched to SELFIES v2.0, so custom alphabets will need to be ported.

Changes
* Removed "experimental" tag from Chemed and Custom methods

Bug fixes
* Type annotations now pass `mypy`
* Paper models now generate SVGs correctly and fixed token issues

0.6.0

* Changed behavior of `num_samples` so that it is not affected by mutation count in STONED

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