MSMBuilder is a python package which implements a series of statistical models for high-dimensional time-series.
It is particularly focused on the analysis of atomistic simulations of biomolecular dynamics. For example, MSMBuilder has been used to model protein folding and conformational change from molecular dynamics (MD) simulations.
wetmsm functions as a plugin for MSMBuilder. It implements the “solvent shells” metric for investigating water, lipids, and other solvents in the MSM framework.