Heterogeneous relational message passing networks for molecular dynamics simulations.
Zun WangChong WangSibo ZhaoYong XuShaogang HaoChang Yu HsiehBing-Lin GuWenhui DuanPublished in: CoRR (2021)
Keyphrases
- message passing
- belief propagation
- molecular dynamics simulations
- approximate inference
- distributed systems
- inference in graphical models
- markov random field
- shared memory
- molecular dynamics
- factor graphs
- probabilistic inference
- sum product algorithm
- distributed shared memory
- graphical models
- sum product
- energy function
- probabilistic model
- high resolution