Connectivity optimized nested line graph networks for crystal buildings
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00018H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Robin Ruff, Patrick Reiser, Jan Stühmer, Pascal FriederichGraph neural networks (GNNs) have been applied to a large variety of applications in materials science and