ChiENN: Embracing Molecular Chirality with Graph Neural Networks.
Piotr GainskiMichal KoziarskiJacek TaborMarek SmiejaPublished in: CoRR (2023)
Keyphrases
- neural network
- graph representation
- pattern recognition
- genetic algorithm
- graph structure
- weighted graph
- artificial neural networks
- random walk
- neural nets
- fuzzy logic
- data sets
- graph theoretic
- graph theory
- protein function prediction
- edge weights
- fuzzy systems
- graph matching
- directed graph
- back propagation
- connected components
- np complete
- graph based algorithm
- drug design
- graph structures
- hopfield neural network
- graph clustering
- high throughput
- bipartite graph
- graph partitioning
- graph model
- link analysis
- feed forward
- multilayer perceptron