Building attention and edge message passing neural networks for bioactivity and physical-chemical property prediction.
Michael WithnallEdvard LindelöfOla EngkvistHongming ChenPublished in: J. Cheminformatics (2020)
Keyphrases
- message passing
- neural network
- belief propagation
- distributed systems
- probabilistic inference
- drug discovery
- factor graphs
- inference in graphical models
- shared memory
- sum product algorithm
- approximate inference
- markov random field
- sum product
- matrix multiplication
- distributed shared memory
- multilayer perceptron
- stereo matching
- back propagation
- junction tree
- artificial neural networks
- graphical models