April 23, 2024 In Unkategorisiert
Molecular Graph Transformer: Stepping Past ALIGNN Into Lengthy-Vary Interactions
Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00014E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Marco Anselmi, Greg Slabaugh, Rachel Crespo-Otero, Devis Di TommasoGraph Neural Networks (GNNs) have revolutionized material property prediction by learning directly from the structural information