Accurate Prediction of Free Solvation Energy of Organic Molecules via Graph Attention Network and Message Passing Neural Network from Pairwise Atomistic Interactions.
Ramin AnsariAmirata GhorbaniPublished in: CoRR (2021)
Keyphrases
- message passing
- belief propagation
- singly connected
- pairwise
- neural network
- junction tree
- elman network
- markov random field
- energy minimization
- graphical models
- protein interaction
- distributed systems
- probabilistic inference
- graph cuts
- shared memory
- inference in graphical models
- high quality
- factor graphs
- higher order
- network structure
- sum product algorithm
- tree reweighted
- random graphs
- molecular interactions
- approximate inference
- stereo matching
- energy consumption
- back propagation
- wireless sensor networks
- max product
- similarity measure
- image processing
- computer vision
- neural network model
- free energy
- post processing
- three dimensional
- image segmentation
- sum product