Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation.

Soo Jung Lee Amr H. Mahmoud Markus A. Lill

Published in: CoRR (2023)

Keyphrases

free energy
fixed point
upper bound
belief propagation
competitive learning
posterior distribution
approximate inference
high quality
neural network
machine learning
computer vision
bayesian networks