Simple GNN Regularisation for 3D Molecular Property Prediction and Beyond

Jonathan Godwin, Michael Schaarschmidt, Alexander L. Gaunt, Alvaro Sanchez-Gonzalez, Yulia Rubanova, Petar Velickovic, James Kirkpatrick, Peter W. Battaglia. Simple GNN Regularisation for 3D Molecular Property Prediction and Beyond. In The Tenth International Conference on Learning Representations, ICLR 2022, Virtual Event, April 25-29, 2022. OpenReview.net, 2022. [doi]

Abstract

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