ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property prediction.
Chengyou LiuYan SunRebecca DavisSilvia T. CardonaPingzhao HuPublished in: J. Cheminformatics (2023)
Keyphrases
- message passing
- neural network
- prediction model
- belief propagation
- fuzzy logic
- distributed systems
- fault diagnosis
- van der waals
- probabilistic inference
- shared memory
- markov random field
- sum product
- factor graphs
- approximate inference
- inference in graphical models
- sum product algorithm
- back propagation
- matrix multiplication
- artificial neural networks
- distributed shared memory
- graphical models
- ldpc codes
- three dimensional
- loopy belief propagation
- bayesian networks
- neural network model
- stereo matching
- junction tree
- motion estimation