MLmtCV, Multitask machine learning framework for collective variables

Reference:

"Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events", Lixin Sun*, Jonathan Vandermause, Simon Batzner, Yu Xie, David Clark, Wei Chen, and Boris Kozinsky*, J. Chem. Theory Comput. 2022, XXXX, XXX, XXX-XXX, https://pubs.acs.org/doi/10.1021/acs.jctc.1c00143