@article{enablingstructureonlyinitializationandou, title = {Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-based Molecular Dynamics Simulators}, author = {S. A. Shteingolts and Salman N. Salman and Dan Mendels}, year = {2026}, eprint = {2605.09495}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2605.09495}, }