FESetup: Automating Setup for Alchemical Free Energy Simulations.

Hannes H. Loeffler Julien Michel Christopher J. Woods

Published in: J. Chem. Inf. Model. (2015)

Keyphrases

free energy
belief propagation
fixed point
upper bound
posterior distribution
competitive learning
approximate inference
generalized belief propagation
machine learning
probability distribution
graphical models
stereo matching
image segmentation
sufficient conditions
model selection
energy minimization