Welcome to BayesMBAR

BayesMBAR stands for Bayesian Multistate Bennett Acceptance Ratio methods. It is a Bayesian generalization of the Multistate Bennett Acceptance Ratio (MBAR) method. The MBAR method is a very useful for estimating free energy differences between multiple states from molecular dynamics simulations or Monte Carlo sampling. BayesMBAR generalizes the MBAR method by providing a Bayesian framework for estimating free energy differences and their uncertainties. This package provides a Python implementation of the BayesMBAR method.