structure-epflai/MassSpecGym
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.
<p align="center"> <img src="assets/MassSpecGym_abstract.svg" width="80%"/> </p>
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.