Describe Molecules by a Heterogeneous Graph Neural Network with Transformer-like Attention for Supervised Property Predictions
Daiguo Deng,
Zengrong Lei,
Xiaobin Hong,
Ruochi Zhang,
Fengfeng Zhou
Affiliations
Daiguo Deng
Fermion Technology Co., Limited, Guangzhou, Guangdong, P. R. China
Zengrong Lei
Fermion Technology Co., Limited, Guangzhou, Guangdong, P. R. China
Xiaobin Hong
Fermion Technology Co., Limited, Guangzhou, Guangdong, P. R. China
Ruochi Zhang
Fermion Technology Co., Limited, Guangzhou, Guangdong, P. R. China
Fengfeng Zhou
College of Computer Science and Technology, and Key Laboratory of Symbolic Computation and Knowledge Engineering of Ministry of Education, Jilin University, Changchun, Jilin, P. R. China
