A Perspective on Deep Learning for Molecular Modeling and Simulations

Author:

Zhang Jun12ORCID,Lei Yao-Kun3,Zhang Zhen4,Chang Junhan3,Li Maodong1,Han Xu3,Yang Lijiang3,Yang Yi Isaac1ORCID,Gao Yi Qin1356ORCID

Affiliation:

1. Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, 518055 Shenzhen, China

2. Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 6, 14195 Berlin, Germany

3. Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China

4. Department of Physics, Tangshan Normal University, 063000 Tangshan, China

5. Beijing Advanced Innovation Center for Genomics, Peking University, 100871 Beijing, China

6. Biomedical Pioneering Innovation Center, Peking University, 100871 Beijing, China

Funder

Guangdong Science and Technology Department

Ministry of Science and Technology of the People's Republic of China

Alexander von Humboldt-Stiftung

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

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