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Few-Shot Learning of Accurate Folding Landscape for Protein Structure Prediction


Aug 20, 2022
Jun Zhang, Sirui Liu, Mengyun Chen, Haotian Chu, Min Wang, Zidong Wang, Jialiang Yu, Ningxi Ni, Fan Yu, Diqing Chen, Yi Isaac Yang, Boxin Xue, Lijiang Yang, Yuan Liu, Yi Qin Gao

* version 1.0; 18 pages, 6 figures 

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PSP: Million-level Protein Sequence Dataset for Protein Structure Prediction


Jun 24, 2022
Sirui Liu, Jun Zhang, Haotian Chu, Min Wang, Boxin Xue, Ningxi Ni, Jialiang Yu, Yuhao Xie, Zhenyu Chen, Mengyun Chen, Yuan Liu, Piya Patra, Fan Xu, Jie Chen, Zidong Wang, Lijiang Yang, Fan Yu, Lei Chen, Yi Qin Gao


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Molecular CT: Unifying Geometry and Representation Learning for Molecules at Different Scales


Dec 24, 2020
Jun Zhang, Yaqiang Zhou, Yao-Kun Lei, Yi Isaac Yang, Yi Qin Gao

* v2 

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Deep Reinforcement Learning of Transition States


Nov 13, 2020
Jun Zhang, Yao-Kun Lei, Zhen Zhang, Xu Han, Maodong Li, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao

* version 1 

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A Perspective on Deep Learning for Molecular Modeling and Simulations


Apr 25, 2020
Jun Zhang, Yao-Kun Lei, Zhen Zhang, Junhan Chang, Maodong Li, Xu Han, Lijiang Yang, Yi Isaac Yang, Yi Qin Gao


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Learning Clustered Representation for Complex Free Energy Landscapes


Jun 07, 2019
Jun Zhang, Yao-Kun Lei, Xing Che, Zhen Zhang, Yi Isaac Yang, Yi Qin Gao

* 6 figures, 1 table in the main text 

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