On the design space between molecular mechanics and machine learning force fields

Yuanqing Wang, Kenichiro Takaba, Michael S. Chen, Marcus Wieder, Yuzhi Xu, Tong Zhu, John Z.H. Zhang, Arnav Nagle, Kuang Yu, Xinyan Wang, Daniel J. Cole, Joshua A. Rackers, Kyunghyun Cho, Joe G. Greener, Peter Eastman, Stefano Martiniani, Mark E. Tuckerman

Research output: Contribution to journal › Review article › peer-review

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Engineering

Keyphrases

Pharmacology, Toxicology and Pharmaceutical Science

Chemistry