Update README.md

README.md

@@ -1,3 +1,22 @@
----
-license: mit
----
+---
+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/DreaMS_Atlas/massive_metadata.tsv
+---
+
+# 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).