| # 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. | |