Molecular geometry prediction using a deep generative graph neural network.
Elman MansimovOmar MahmoodSeokho KangKyunghyun ChoPublished in: CoRR (2019)
Keyphrases
- neural network
- prediction model
- protein function prediction
- three dimensional
- prediction accuracy
- random walk
- multi layer perceptron
- back propagation
- elman network
- prediction error
- graph representation
- artificial neural networks
- prediction algorithm
- self organizing maps
- graph theoretic
- drug design
- pattern recognition
- topological information
- chaotic time series
- neural nets
- graph theory
- unsupervised learning
- neural network model
- fault diagnosis
- genetic algorithm
- neural network is trained
- fuzzy logic
- neural network ensemble
- bipartite graph
- predictive model
- recurrent neural networks
- multi layer
- graph matching
- protein structure prediction
- structured data
- generative model
- geometric constraints
- bp neural network
- weighted graph