4 citations · 7 across the 3 of their papers we have counts for
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cs.LG2023★ 4 cited
ChiENN: Embracing Molecular Chirality with Graph Neural Networks
Piotr Gaiński, Michał Koziarski, Jacek Tabor +1
Graph Neural Networks (GNNs) play a fundamental role in many deep learning problems, in particular in cheminformatics. However, typical GNNs cannot capture the concept of chirality…
cs.LG2021★ 3 cited
Relative Molecule Self-Attention Transformer
Łukasz Maziarka, Dawid Majchrowski, Tomasz Danel +5
Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learni…