Scikit-mol

Parallel transformations, see [https://github.com/EBjerrum/scikit-mol/blob/main/notebooks/07_parallel_transforms.ipynb](https://github.com/EBjerrum/scikit-mol/blob/main/notebooks/07_parallel_transforms.ipynb) for example and guidelines for use.

Merged the documentation branch to the main, and re-releasing tagged version.

What's Changed
* Documentation by EBjerrum in https://github.com/EBjerrum/scikit-mol/pull/23


**Full Changelog**: https://github.com/EBjerrum/scikit-mol/compare/v0.0.4...v0.1.1

Updated notebooks and Readme's, as well as various bug fixes.

What's Changed
* Fixed a bug in Standardize script by son-ha-264 in https://github.com/EBjerrum/scikit-mol/pull/21
* minor fixes, test script and adding toy data to run test by adrienchaton in https://github.com/EBjerrum/scikit-mol/pull/12
* Integration test by EBjerrum in https://github.com/EBjerrum/scikit-mol/pull/22

New Contributors
* adrienchaton made their first contribution in https://github.com/EBjerrum/scikit-mol/pull/12

**Full Changelog**: https://github.com/EBjerrum/scikit-mol/compare/v0.0.3...v0.1.0

Integration testing and minor bug fixes. There is now a test dataset available for basic testing available for pytest via the fixture SLC6A4_subset. The samples are selected to give a higher validation/test performance despite the small size, and are thus artificially inflated and should not be used for regular QSAR work.

More complete coverage of tests and some bugfixes in the transformers

Unittests coverage is now decent, and the dynamics around decs_list is now implemented correctly, so that parameters can be set after instantiation of the object and the desciptor_calculator function list be updates