Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-based Molecular Dynamics Simulators

Fuente: arXiv

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Bibliographic Details
Main Authors:	Shteingolts, S. A., Salman, Salman N., Mendels, Dan
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics Machine Learning Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2605.09495