| 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 | |
| <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](https://github.com/pluskal-lab/MassSpecGym) and the [paper](https://arxiv.org/abs/2410.23326) for details. |