React-OT: Optimal Transport for Generating Transition State in Chemical Reactions

Fuente: arXiv

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Bibliographic Details
Main Authors:	Duan, Chenru, Liu, Guan-Horng, Du, Yuanqi, Chen, Tianrong, Zhao, Qiyuan, Jia, Haojun, Gomes, Carla P., Theodorou, Evangelos A., Kulik, Heather J.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Machine Learning
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2404.13430