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-Net): A Modular Neural Network Approach to Binding Free Energy Prediction.

Derek P. MetcalfZachary L. GlickAndrea BortolatoAndy JiangDaniel L. CheneyC. David Sherrill
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • free energy
  • modular neural network
  • neural network
  • fixed point
  • belief propagation
  • upper bound
  • posterior distribution
  • competitive learning
  • support vector machine svm
  • energy minimization
  • approximate inference