Flexible dual-branched message passing neural network for quantum mechanical property prediction with molecular conformation.
Jeonghee JoBumju KwakByunghan LeeSungroh YoonPublished in: CoRR (2021)
Keyphrases
- message passing
- neural network
- protein structure prediction
- prediction model
- belief propagation
- distributed systems
- shared memory
- probabilistic inference
- back propagation
- distributed shared memory
- quantum mechanics
- sum product algorithm
- factor graphs
- approximate inference
- inference in graphical models
- sum product
- graphical models
- artificial neural networks
- markov random field
- protein folding
- protein structure
- coarse grained
- secondary structure
- probabilistic reasoning
- amino acids