| 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](https://github.com/pluskal-lab/DreaMS): | |
| - 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). |