MSMBuilder – Statistical models for Biomolecular Dynamics¶

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 under active development. Many of the algorithms and models implemented are “mature”, but others are rapidly changing.

Algorithms available include:

• Geometric Clustering
• Markov state models (MSMs)
• Time-structure Independent Components Analysis (tICA)
• Hidden Markov models (HMMs)
• Transition Path Theory

MSMBuilder is developed by primarily by researchers at Stanford University and Memorial Sloan Kettering, but we welcome contributions. The development all takes place on Github. MSMBuilder is licensed under the GNU LGPL (v2.1 or later).