metadata

dataset_info:
  config_name: main
license: mit
tags:
  - chemistry
pretty_name: GeMS
size_categories:
  - 10M<n<100M
configs:
  - config_name: main
    data_files:
      - split: val
        path: data/GeMS_A/GeMS_A10.hdf5

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).