Exmol

Latest version: v3.2.1

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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

2.1.1

* Fixed bug in `plot_descriptors`

2.1.0

* `plot_descriptors` will no longer save to file without filename

2.0.1

Made default run_stoned argument use basic instead of semantically robust alphabet, as claimed in documentation

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