Exmol

Latest version: v3.0.3

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3.0.3

What's Changed
* Issue-137, import exmol not working with python 3.11 by geemi725 in https://github.com/ur-whitelab/exmol/pull/138


**Full Changelog**: https://github.com/ur-whitelab/exmol/compare/v3.0.2...v3.0.3

3.0.2

* Now try to find largest component with multiple compounds separated via . in SMILES
* Added langchain for text explanations

3.0.1

Removed `~` any bonds from SMILES strings coming from synspace

3.0.0

- Added synspace method to generate synthetically feasible space
- Added drug-like filter by default for counterfactuals

2.2.1

* Fixed bug in sorting for text explanations
* Fixed empty plot names saying None
* Added priority for naming and removed invalid names
* Added more names (metyhl, ethyl, butyl, etc)
* Fixed sample_space to accept partials or objects
* Added openai prompting
* Added name_morgan_bit as external facing

2.2.0

* Added natural language explanation method
* Added names to ECFP plots and naming of ECFP fragments

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