Beyond the Training Domain: Robust Generative Transition State Models for Unseen Chemistry

Fuente: arXiv

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Bibliographic Details
Main Authors:	Darouich, Samir, Toney, Jacob W., Luo, Weiliang, Kästner, Johannes, Niepert, Mathias, Kulik, Heather J.
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2601.16469