ChiENN: Embracing Molecular Chirality with Graph Neural Networks

Piotr Gainski, Michal Koziarski, Jacek Tabor, Marek Smieja. ChiENN: Embracing Molecular Chirality with Graph Neural Networks. In Danai Koutra, Claudia Plant, Manuel Gomez-Rodriguez, Elena Baralis, Francesco Bonchi, editors, Machine Learning and Knowledge Discovery in Databases: Research Track - European Conference, ECML PKDD 2023, Turin, Italy, September 18-22, 2023, Proceedings, Part III. Volume 14171 of Lecture Notes in Computer Science, pages 36-52, Springer, 2023. [doi]

Abstract

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