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2410.23326
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MassSpecGym: A benchmark for the discovery and identification of molecules
17 February 2025
Roman Bushuiev
Anton Bushuiev
Niek F. de Jonge
A. Young
Fleming Kretschmer
Raman Samusevich
Janne Heirman
Fei Wang
L. Zhang
Kai Dührkop
Marcus Ludwig
Nils A. Haupt
A. Kalia
Corinna Brungs
Robin Schmid
Russell Greiner
Bo Wang
D. Wishart
Li Liu
Juho Rousu
Wout Bittremieux
Hannes L. Röst
Tytus D. Mak
S. Hassoun
Florian Huber
Justin J. J. van der Hooft
Michael A. Stravs
Sebastian Böcker
Josef Sivic
Tomáš Pluskal
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Papers citing
"MassSpecGym: A benchmark for the discovery and identification of molecules"
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Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond
Kehan Guo
Yili Shen
Gisela Abigail Gonzalez-Montiel
Yue Huang
Yujun Zhou
...
Zhichun Guo
Prayel Das
Nitesh V. Chawla
Olaf Wiest
X. Zhang
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14 Feb 2025
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