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).