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Tobias Kind

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Theoretical and Computational Chemistry

Evaluating the generalizability of graph neural networks for predicting collision cross section

Chloe Engler Hart, António José Preto, Shaurya Chanana, David Healey, Tobias Kind, Daniel Domingo-Fernández

Version 1 posted 17 May 2024

262

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Theoretical and Computational Chemistry

MS2Mol: A transformer model for illuminating dark chemical space from mass spectra

Thomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, Thomas Kerby, Kiana West, Joseph Davison, James Taylor, Christoph Krettler, TJ Bollerman, Gennady Voronov, Kevin Moon, Tobias Kind, Pieter Dorrestein, August Allen, Viswa Colluru, David Healey

Version 4 posted 06 September 2023

3,908

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2

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