 Graph neural networks for materials science and chemistryCommunications Materials (Commun. Mater.), 2022 |
 Relative Molecule Self-Attention TransformerJournal of Cheminformatics (J Cheminform), 2021 |
 Learning to Extend Molecular Scaffolds with Structural MotifsInternational Conference on Learning Representations (ICLR), 2021 |
