MSMBuilder is a python package which implements a series of statistical models for high-dimensional time-series -- the particular focus of the library is on the analysis of atomistic simulations of biomolecular dynamics such as protein folding and conformational change. MSMBuilder is available under the LGPL (v2.1 or later).
Algorithms available include:
- Geometric clustering
- Markov state models
- Time-structure independent components analysis
- L1-regularized reversible hidden Markov models
- Transition path theory
Resources: