Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures.
Shuo ZhangYang LiuLei XiePublished in: CoRR (2020)
Keyphrases
- molecular structures
- neural network
- graph structure
- connected components
- three dimensional
- databases
- augmented reality
- structured data
- random walk
- pattern recognition
- directed graph
- graph theory
- graph databases
- graph representation
- artificial neural networks
- neural network model
- computational methods
- graph model
- machine learning