Geometric deep learning for molecular property predictions with chemical accuracy across chemical space

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Authors: Maarten R. Dobbelaere, István Lengyel, Christian V. Stevens, Kevin M. Van Geem

Journal title: Journal of Cheminformatics

Journal number: 16

Journal publisher: Springer Science and Business Media LLC

Published year: 2024

DOI identifier: 10.1186/S13321-024-00895-0

ISSN: 1758-2946