April 2024

molecular-graph-transformer:-stepping-past-alignn-into-lengthy-vary-interactions

Molecular Graph Transformer: Stepping Past ALIGNN Into Lengthy-Vary Interactions

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00014E, Paper Open Access &nbsp 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

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