astartes v1.3.0

This minor releases fixes a small bug in the base sampler which would incorrectly print the requested vs. actual validation set size.

A new demo notebook showing the MLM sampler has also been added.

What's Changed

• Implementing the MLM Sampler by @JacksonBurns in #134
• astartes v1.3.0 by @JacksonBurns in #176

Full Changelog: v1.2.2...v1.3.0

astartes v1.2.2

astartes Patch Release 1.2.2

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 #174

Full Changelog: v1.2.1...v1.2.2

astartes v1.2.1

astartes Minor + Patch Release 1.2.1

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 #169
• Adding TargetValue and MolecularWeight Sampler by @JacksonBurns in #172
• Fix Incorrectly Delayed Import in 1.2.0 by @JacksonBurns in #173

Full Changelog: v1.1.5...v1.2.1

astartes v1.1.5

astartes Patch Release 1.1.5

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 #164

Full Changelog: v1.1.4...v1.1.5

astartes v1.1.4

astartes Patch Release 1.1.4

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 #158
• add joss review status badge to readme by @JacksonBurns in #159
• update readme and cff with new JOSS citation by @JacksonBurns in #161
• add python 3.12 to ci, pyproject, readme - bump patch version 4 release by @JacksonBurns in #162

Full Changelog: v1.1.3...v1.1.4

astartes v1.1.3.post1

astartes Post-Release 1.1.3.post1

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 #158

Full Changelog: v1.1.3...v1.1.3.post1

astartes v1.1.3

astartes Patch Release 1.1.3

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 #149
• Delete postBuild by @JacksonBurns in #150
• Internal Improvements by @JacksonBurns in #151
• added a conda-forge package by @JacksonBurns in #152
• PyOpenSci Review - Documentation Updates by @JacksonBurns in #154
• PyOpenSci Review - Code Updates by @JacksonBurns in #155
• bump version for patch release by @JacksonBurns in #157

Full Changelog: v1.1.2...v1.1.3

astartes v1.1.2

astartes Patch Release 1.1.2

This release contains minor changes, primarily to the documentation, in response to initial editor comments at pyOpenSci. The primary difference in the codebase is that astartes now has a __version__ attribute for backwards compatibility with Python 3.7.

To upgrade, run pip install --upgrade astartes.

To check which version of astartes you have installed, you can run python -c "import astartes; print(astartes.__version__)" on Python 3.7 or python -c "from importlib.metadata import version; version('astartes')" on Python 3.8 or newer.

What's Changed

• Pre-Submission Fixup for PyOpenSci by @JacksonBurns in #143
• pyOpenSci Initial Review Comments Fixup by @JacksonBurns in #147
• patch fixes for the previous patch fixes (version 1.1.2) by @JacksonBurns in #148

Full Changelog: v1.1.1...v1.1.2

astartes v1.1.1

astartes Patch Release 1.1.1

This patch release contains minor bugfixes compared to version 1.1.0, see the linked PR below for complete details.

What's Changed

• v1.1.1 patches by @JacksonBurns in #140

Full Changelog: v1.1.0...v1.1.1

astartes v1.1.0

astartes Minor Release 1.1.0 🎉

The first minor release of astartes v1!

This new version adds the generate_regression_results_dict to auto-magically subject your sklearn-compatible model to a variety of different sampling algorithms and then show you the results. Great for rapid exploration!

There is also now a conda package for astartes base functionality, with more comprehensive packages coming in the future 🤞. This version and all previous versions are available from the jacksonburns channel.

Complete details below:

What's Changed

• add a conda package by @JacksonBurns in #132
• Add function to obtain values for a table by @kspieks in #122
• astartes v1.1.0 🎉 by @JacksonBurns in #136

Full Changelog: v1.0.3...v1.1.0