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To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC.
Alexei M. Nikitin
Vladislava Milchevskaya
Alexander Lyubartsev
Published in:
J. Comput. Chem. (2021)
Keyphrases
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free energy
belief propagation
upper bound
fixed point
competitive learning
decision trees
approximate inference
graphical models
posterior distribution
neural network
machine learning
image sequences
hidden markov models