A Perspective on Deep Learning for Molecular Modeling and Simulations. - Jun Zhang 071; Yao-Kun Lei; Zhen Zhang; Junhan Chang; Maodong Li; Xu Han; Lijiang Yang; Yi Isaac Yang; Yi Qin Gao (CoRR, 2020)

Deep Reinforcement Learning of Transition States. - Jun Zhang 071; Yao-Kun Lei; Zhen Zhang; Xu Han; Maodong Li; Lijiang Yang; Yi Isaac Yang; Yi Qin Gao (CoRR, 2020)

Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales. - Jun Zhang 071; Yaqiang Zhou; Yao-Kun Lei; Yi Isaac Yang; Yi Qin Gao (CoRR, 2020)