Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction.
Peizhen BaiXianyuan LiuHaiping LuPublished in: CoRR (2023)
Keyphrases
- protein function prediction
- three dimensional
- prediction accuracy
- prediction model
- prediction algorithm
- radial basis function network
- graph representation
- multi layer perceptron
- global consistency
- line segments
- graph theory
- drug design
- weighted graph
- directed graph
- fault diagnosis
- random walk
- supervised learning
- anti monotonic
- graph properties
- bipartite graph
- active learning
- pairwise
- training set