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Parallel AFMPB solver with automatic surface meshing for calculation of molecular solvation free energy.
Bo Zhang
Bo Peng
Jingfang Huang
Nikos P. Pitsianis
Xiaobai Sun
Benzhuo Lu
Published in:
Comput. Phys. Commun. (2015)
Keyphrases
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free energy
three dimensional
belief propagation
fixed point
upper bound
d objects
posterior distribution
loopy belief propagation
image segmentation
object recognition
graphical models
message passing
approximate inference
competitive learning