Efficiently predicting high resolution mass spectra with graph neural networks

Michael Murphy, Stefanie Jegelka, Ernest Fraenkel, Tobias Kind, David Healey, Thomas Butler. Efficiently predicting high resolution mass spectra with graph neural networks. In Andreas Krause 0001, Emma Brunskill, KyungHyun Cho, Barbara Engelhardt, Sivan Sabato, Jonathan Scarlett, editors, International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA. Volume 202 of Proceedings of Machine Learning Research, pages 25549-25562, PMLR, 2023. [doi]

Abstract

Abstract is missing.