Implementation of Girsanov reweighting in deeptime MSM estimator

[anyschaefer]

We extended the MSM estimator class, such that the transition counts are reweighted according to the reweighting factor trajectory.

Joana-Lysiane Schäfer, Bettina G. Keller, Implementation of Girsanov reweighting in OpenMM and Deeptime

We demonstrated the correct functioning and error-free applicability of the newly implemented functions using both a low-dimensional test system and a molecular system. The corresponding reference "Implementation of Girsanov reweighting in OpenMM and Deeptime" is currently under review and will be publicly available shortly. The required input files and setup for the evaluation of a reweighted Markov state model are available at reweightingtools