NOTICE — upstream attribution and licence
This release distributes a benchmark table derived from the SpectraVerse tandem mass spectral library.
Upstream resource: SpectraVerse
- Gupta V., Qiang H., Chung H.-H., Herbst E., Skinnider M. Comprehensive curation and harmonization of small molecule MS/MS libraries in Spectraverse. Zenodo release v1.0.1, doi:10.5281/zenodo.17870921.
- License: Creative Commons Attribution 4.0 International (CC BY 4.0). Attribution to the SpectraVerse authors is required for any reuse of the material derived from it.
What UltraMS added
- the CSV representation of the library (
Spectraverse.csv, one row per spectrum), - the frozen molecule-level (exact-SMILES) 8:1:1 train / validation / test partition
distributed in
splits/spectraverse_compound_split.csv, - the release packaging, verification record and documentation.
The SpectraVerse spectra themselves are redistributed under the upstream CC BY 4.0 licence; the derived tables in this release are released under CC BY 4.0 as well.