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

Fuente: arXiv

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Bibliographic Details
Main Authors:	Wang, Yuanqing, Takaba, Kenichiro, Chen, Michael S., Wieder, Marcus, Xu, Yuzhi, Zhu, Tong, Zhang, John Z. H., Nagle, Arnav, Yu, Kuang, Wang, Xinyan, Cole, Daniel J., Rackers, Joshua A., Cho, Kyunghyun, Greener, Joe G., Eastman, Peter, Martiniani, Stefano, Tuckerman, Mark E.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Artificial Intelligence Machine Learning Biological Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2409.01931