GeMS (GNPS Experimental Mass Spectra)

This repository contains datasets used for the DreaMS project:

• GeMS dataset of up to hundreds of millions of unannotated MS/MS spectra mined from the MassIVE GNPS repository.
• DreaMS Atlas - a molecular network of 201 million MS/MS spectra constructed using DreaMS embeddings (built on top of the GeMS-C1 dataset).
• MS/MS spectra labeled with molecular structures used to fine-tune DreaMS (filtered subset of MoNA).