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Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

Shuxin Zheng,Jiyan He,Chang Liu,Yu Shi,Ziheng Lu,Weitao Feng,Fusong Ju,Jiaxi Wang,Jianwei Zhu,Yaosen Min, He Zhang,Shidi Tang,Hongxia Hao,Peiran Jin, Chi Chen,Frank Noe, Haiguang Liu,Tie-Yan Liu

NATURE MACHINE INTELLIGENCE（2024）

Cited 26|Views96
Key words
Molecular Docking,Materials Discovery
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