metadata
dataset_info:
config_name: main
license: mit
tags:
- chemistry
pretty_name: MassSpecGym
size_categories:
- 100K<n<1M
configs:
- config_name: main
data_files:
- split: val
path: data/MassSpecGym.tsv
MassSpecGym provides a dataset and benchmark for the discovery and identification of new molecules from MS/MS spectra. The provided challenges abstract the process of scientific discovery of new molecules from biological and environmental samples into well-defined machine learning problems.
Please refer to the MassSpecGym GitHub page and the paper for details.