Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation.
Odin ZhangYufei HuangShichen ChengMengyao YuXujun ZhangHaitao LinYundian ZengMingyang WangZhenxing WuHuifeng ZhaoZaixi ZhangChenqing HuaYu KangSunliang CuiPeichen PanChang-Yu HsiehTingjun HouPublished in: CoRR (2024)
Keyphrases
- three dimensional
- graph theory
- graph theoretic
- random walk
- connected components
- pairwise
- graph model
- generation process
- structured data
- graph structure
- topological information
- graph representation
- graph structures
- dna computing
- drug design
- dependency graph
- graph mining
- geometric structure
- graph matching
- directed graph