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roman-bushuiev/GeMS

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).

Author / organizationroman-bushuiev
License (as declared)mit
Downloads1.3K (as reported by Hugging Face)
Likes19
Created30 July 2024
Last updated at source18 January 2026
chemistry
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