no code implementations • 2 Apr 2024 • Adamo Young, Fei Wang, David Wishart, Bo wang, Hannes Röst, Russ Greiner
The process of identifying a compound from its mass spectrum is a critical step in the analysis of complex mixtures.
2 code implementations • 8 Nov 2021 • Adamo Young, Bo wang, Hannes Röst
MassFormer outperforms competing approaches for spectrum prediction on multiple datasets, and is able to recover prior knowledge about the effect of collision energy on the spectrum.