Equivariant Graph Attention Networks for Molecular Property Prediction.
Tuan LeFrank NoéDjork-Arné ClevertPublished in: CoRR (2022)
Keyphrases
- protein function prediction
- prediction accuracy
- average degree
- biological networks
- small world
- complex networks
- prediction model
- social networks
- random walk
- neural network ensemble
- fully connected
- three dimensional
- graph representation
- graph properties
- interaction networks
- drug design
- graph theory
- edge weights
- graph structure
- graph structures
- directed acyclic graph
- community discovery
- global consistency
- random graphs
- graph model
- functional modules
- overlapping communities
- molecular interactions
- anti monotonic
- network structure
- social graphs
- betweenness centrality
- directed graph
- prediction error
- visual attention
- degree distribution
- structural patterns
- network analysis
- weighted graph
- graph theoretic
- protein interaction networks