Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-Based Molecular Dynamics Simulators.
- DOI
- 10.1021/acs.jctc.6c01145
- Published
- 2026 Nov 10
- Container
- Journal of chemical theory and computation
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.6c01145,
title = {Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-Based Molecular Dynamics Simulators.},
author = {Shteingolts SA and Salman SN and Mendels D},
year = {2026},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.6c01145},
url = {https://doi.org/10.1021/acs.jctc.6c01145}
}RIS
TY - JOUR TI - Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-Based Molecular Dynamics Simulators. AU - Shteingolts SA AU - Salman SN AU - Mendels D PY - 2026 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.6c01145 UR - https://doi.org/10.1021/acs.jctc.6c01145 ER -
APA
SA, S., SN, S., & D, M. (2026). Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-Based Molecular Dynamics Simulators.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01145
Source records
- pubmed · retrieved 2026-11-10T20:01:22.395Z