Expressivity and Generalization: Fragment-Biases for Molecular GNNs

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Tom Wollschläger, Niklas Kemper, Leon Hetzel, Johanna Sommer, Stephan Günnemann

Published: 01 Jan 2024, Last Modified: 13 May 2025ICML 2024EveryoneRevisionsBibTeXCC BY-SA 4.0