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2301.11419
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Efficiently predicting high resolution mass spectra with graph neural networks
26 January 2023
M. Murphy
Stefanie Jegelka
E. Fraenkel
T. Kind
David Healey
Thomas Butler
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Papers citing
"Efficiently predicting high resolution mass spectra with graph neural networks"
3 / 3 papers shown
Title
Neural Graph Matching Improves Retrieval Augmented Generation in Molecular Machine Learning
Runzhong Wang
Rui Wang
Mrunali Manjrekar
Connor W. Coley
177
0
0
25 Feb 2025
MassSpecGym: A benchmark for the discovery and identification of molecules
Roman Bushuiev
Anton Bushuiev
Niek F. de Jonge
A. Young
Fleming Kretschmer
...
Justin J. J. van der Hooft
Michael A. Stravs
Sebastian Böcker
Josef Sivic
Tomáš Pluskal
213
15
0
17 Feb 2025
Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond
International Joint Conference on Artificial Intelligence (IJCAI), 2021
Kehan Guo
Yili Shen
Gisela Abigail Gonzalez-Montiel
Yue Huang
Yujun Zhou
...
Zhichun Guo
Prayel Das
Nitesh Chawla
Olaf Wiest
Wei Wei
374
3
0
14 Feb 2025
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