Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs.
Zhao XuYouzhi LuoXuan ZhangXinyi XuYaochen XieMeng LiuKaleb DickersonCheng DengMaho NakataShuiwang JiPublished in: CoRR (2021)
Keyphrases
- drug discovery
- graph matching
- three dimensional
- series parallel
- graph representation
- data mining
- structured objects
- bayesian networks
- graph theoretic
- virtual screening
- dna computing
- graph mining
- graph theory
- pattern recognition
- graph model
- graph databases
- graph partitioning
- graph structure
- social network analysis
- pairwise
- image segmentation
- real world