DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges.
Jike WangDong-Sheng CaoCunchen TangLei XuQiaojun HeBo YangXi ChenHuiyong SunTingjun HouPublished in: Briefings Bioinform. (2021)
Keyphrases
- network architecture
- prediction accuracy
- management system
- high quality
- prediction algorithm
- random walk
- graph theoretic
- prediction error
- graph structure
- graph theory
- real time
- graph representation
- graph model
- highly accurate
- prediction model
- structured data
- bipartite graph
- graph matching
- hardware implementation
- directed acyclic graph
- directed graph
- high accuracy
- connected components
- software architecture