Geometry-enhanced molecular representation learning for property prediction 论文

2022Nature Machine Intelligence引用 553
DOIArXivPDF
Computational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics
人工智能Protein Structure and DynamicsComputational Drug Discovery MethodsMachine Learning in Materials Science
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
关系图谱

Geometry-enhanced molecular representation learning for property prediction · 作者

H

Hua Wu

F

Fan Wang

H

Haifeng Wang

J

Jingbo Zhou

S

Shanzhuo Zhang

D

Donglong He

J

Jieqiong Lei

L

Lihang Liu

X

Xiaomin Fang