Mlcolvar

What's Changed
* add config file to readthedocs by luigibonati in https://github.com/luigibonati/mlcolvar/pull/167


**Full Changelog**: https://github.com/luigibonati/mlcolvar/compare/v1.2.1...v1.2.2

What's Changed
* Remove torch-scatter dependency by luigibonati in https://github.com/luigibonati/mlcolvar/pull/166

**Full Changelog**: https://github.com/luigibonati/mlcolvar/compare/v1.2.0...v1.2.1

This version includes several bugfixes, improvements as well as new features:
- Interpretability module
- Committor CV via Kolmogorov’s variational principle

What's Changed
* Fix DeepLDA regularization by luigibonati in https://github.com/luigibonati/mlcolvar/pull/114
* Fix bug in lr scheduler configure by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/116
* Fix device issue checkpoint test by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/117
* Bug fix in nn.feedforward by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/119
* Remove scipy version requirement from pyproject by andrrizzi in https://github.com/luigibonati/mlcolvar/pull/121
* Fix issues in CI by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/129
* Extension of transform module by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/124
* Add committor code by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/132
* Bug fix transform and committor by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/133
* Make last layer activation of committor an explicit block by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/135
* Interpretability module: sparse linear models via LASSO by luigibonati in https://github.com/luigibonati/mlcolvar/pull/120
* Register TDA target parameters as loss module buffers by recisic in https://github.com/luigibonati/mlcolvar/pull/142
* Improvement committor module by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/145
* Test PyPI version via CI by luigibonati in https://github.com/luigibonati/mlcolvar/pull/146
* Add SequentialTransform by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/147
* Numpy 2 update temporary fixes by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/152
* Committor updates by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/151
* Fixed deltaF bug by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/156
* Doc minor fixes by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/157
* Improve transform tutorial coverage by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/158
* Committor tutorials update by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/159
* Fixed docs requirements by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/162
* Fixed markdown headers by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/163
* Fixed colab links by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/164
* Add cutoff on distances lists by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/165

New Contributors
* recisic made their first contribution in https://github.com/luigibonati/mlcolvar/pull/142

**Full Changelog**: https://github.com/luigibonati/mlcolvar/compare/v1.1.0...v1.2.0

Bug fixes to v1.1 (see 144)

Bug fixes + sensitivity analysis

What's Changed
* Fix mamba commands migration issue by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/98
* Fix bug in CI badge by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/99
* general split_dataset functions by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/100
* Add installation info for main page by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/102
* change register_cmap to register by luigibonati in https://github.com/luigibonati/mlcolvar/pull/107
* remove version check on scipy by luigibonati in https://github.com/luigibonati/mlcolvar/pull/109
* Add sensitivity analysis by luigibonati in https://github.com/luigibonati/mlcolvar/pull/108
* add sensitivity tutorial to doc by luigibonati in https://github.com/luigibonati/mlcolvar/pull/112
* Fix bug unrepresented state. by andrrizzi in https://github.com/luigibonati/mlcolvar/pull/110
* Fix 103: CVs cannot be loaded from checkpoint by andrrizzi in https://github.com/luigibonati/mlcolvar/pull/113
* Add lr_scheduler options by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/111


**Full Changelog**: https://github.com/luigibonati/mlcolvar/compare/v1.0.1...v1.1.0

Bug fixes and doc improvements

What's Changed
* Fixed path to state file timelagged experiment by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/82
* added scipy version requirement by luigibonati in https://github.com/luigibonati/mlcolvar/pull/85
* Update doc and readme by luigibonati in https://github.com/luigibonati/mlcolvar/pull/86
* fix citation by luigibonati in https://github.com/luigibonati/mlcolvar/pull/87
* specify dependency version requirement by luigibonati in https://github.com/luigibonati/mlcolvar/pull/89
* Minor fixes by EnricoTrizio in https://github.com/luigibonati/mlcolvar/pull/92
* Allow training without validation dataset by luigibonati in https://github.com/luigibonati/mlcolvar/pull/88
* Fix doc by luigibonati in https://github.com/luigibonati/mlcolvar/pull/93


**Full Changelog**: https://github.com/luigibonati/mlcolvar/compare/v1.0.0...v1.0.1