Astartes

This parch release significantly decreases the required dependencies for the `molecules` subpackage by switching the molecule handling backend from `aimsim` to `aimsim_core` when installing from PyPI.

What's Changed
* Change `aimsim` to `aimsim_core` for PyPI to lean out dependencies by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/174


**Full Changelog**: https://github.com/JacksonBurns/astartes/compare/v1.2.1...v1.2.2

This release is a combination of 1.2.0 (which was yanked due to a bug) and 1.2.1 (which fixes the bug) - new features include the `TargetValue` and `MolecularWeight` samplers and some minor formatting and bug fixes elsewhere. Try out the new samplers to see how well your model can extrapolate outside of the training target space!

What's Changed
* Fix scaffold formatting by kspieks in https://github.com/JacksonBurns/astartes/pull/169
* Adding TargetValue and MolecularWeight Sampler by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/172
* Fix Incorrectly Delayed Import in 1.2.0 by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/173


**Full Changelog**: https://github.com/JacksonBurns/astartes/compare/v1.1.5...v1.2.1

This patch release contains a bugfix in extrapolative sampling with `train_test_split`. Previously, `random_state` was effectively ignored when shuffling clusters inside of `train_test_split` since the `max_shufflable_size` was set based on the size of the validation set (which is zero here). Thanks to kspieks for the quick fix and PatWalters for reporting it!

What's Changed
* Fix a bug with the definition of `max_shufflable_size` by kspieks in https://github.com/JacksonBurns/astartes/pull/164


**Full Changelog**: https://github.com/JacksonBurns/astartes/compare/v1.1.4...v1.1.5

This patch release adds support for Python 3.12 as well as the JOSS review badge to the README.

What's Changed
* Final Wrap-up Edits for pyOpenSci Zenodo Release by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/158
* add joss review status badge to readme by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/159
* update readme and cff with new JOSS citation by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/161
* add python 3.12 to ci, pyproject, readme - bump patch version 4 release by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/162


**Full Changelog**: https://github.com/JacksonBurns/astartes/compare/v1.1.3...v1.1.4

This post-release contains a single small documentation update to the README, now including the pyOpenSci approval badge.

What's Changed
* Final Wrap-up Edits for pyOpenSci Zenodo Release by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/158


**Full Changelog**: https://github.com/JacksonBurns/astartes/compare/v1.1.3...v1.1.3.post1

This patch release contains a number of quality of life updates and cleanups related to the submission of `astartes` to PyOpenSci. See the extended log below.

What's Changed
* add readme line to explain how to use MDKS by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/149
* Delete postBuild by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/150
* Internal Improvements by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/151
* added a `conda-forge` package by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/152
* PyOpenSci Review - Documentation Updates by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/154
* PyOpenSci Review - Code Updates by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/155
* bump version for patch release by JacksonBurns in https://github.com/JacksonBurns/astartes/pull/157


**Full Changelog**: https://github.com/JacksonBurns/astartes/compare/v1.1.2...v1.1.3