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]

@inproceedings{MurphyJFKHB23,
  title = {Efficiently predicting high resolution mass spectra with graph neural networks},
  author = {Michael Murphy and Stefanie Jegelka and Ernest Fraenkel and Tobias Kind and David Healey and Thomas Butler},
  year = {2023},
  url = {https://proceedings.mlr.press/v202/murphy23a.html},
  researchr = {https://researchr.org/publication/MurphyJFKHB23},
  cites = {0},
  citedby = {0},
  pages = {25549-25562},
  booktitle = {International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA},
  editor = {Andreas Krause 0001 and Emma Brunskill and KyungHyun Cho and Barbara Engelhardt and Sivan Sabato and Jonathan Scarlett},
  volume = {202},
  series = {Proceedings of Machine Learning Research},
  publisher = {PMLR},
}