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Xingyi Guan

Showing results (11-20 of 15) with videos related to

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Journal of Chemical Information and Modeling|June 6, 2024
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug DesignJie Li, Oufan Zhang, Kunyang Sun, et al.
Digital Discovery|June 30, 2022
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forcesMojtaba Haghighatlari, Jie Li, Xingyi Guan, et al.
Scientific Data|May 17, 2022
A benchmark dataset for Hydrogen CombustionXingyi Guan, Akshaya Das, Christopher J Stein, et al.
Molecular Physics|July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific DomainsJagna Witek, Joseph P Heindel, Xingyi Guan, et al.
Journal of Chemical Theory and Computation|May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force FieldsItai Leven, Hongxia Hao, Songchen Tan, et al.
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Showing results (11-20 of 15) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 15 results.
Journal of Chemical Information and Modeling|June 6, 2024
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug DesignJie Li, Oufan Zhang, Kunyang Sun, et al.
Digital Discovery|June 30, 2022
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forcesMojtaba Haghighatlari, Jie Li, Xingyi Guan, et al.
Scientific Data|May 17, 2022
A benchmark dataset for Hydrogen CombustionXingyi Guan, Akshaya Das, Christopher J Stein, et al.
Molecular Physics|July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific DomainsJagna Witek, Joseph P Heindel, Xingyi Guan, et al.
Journal of Chemical Theory and Computation|May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force FieldsItai Leven, Hongxia Hao, Songchen Tan, et al.
Pageof 2