# 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](https://doi.org/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.