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{
"release": {
"name": "ultrams_msnlib_benchmark_v1",
"title": "UltraMS MSnLib benchmark: full-library formula-level split (A) and strict-adduct molecule-level library-search split (B)",
"version": "1.0.0",
"date": "2026-11-04",
"license": "CC BY 4.0",
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"distribution": "distributed with the Hugging Face dataset placeholder dsadd4/UltraMS-MSnLib-Benchmark"
},
"msnlib_original_release": {
"citation": "Brungs C., Schmid R., Pluskal T. MSnLib: efficient generation of open multi-stage fragmentation mass spectral libraries. Nature Methods (2025), doi:10.1038/s41592-025-02813-0.",
"zenodo_record": "10.5281/zenodo.11163380",
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"purpose": "candidate SMILES lists behind the single-spectrum candidate-ranking task (Figure 3a/3b/3d/3g)",
"hosted": "Hugging Face dataset dsadd4/UltraMS-MSnLib-Benchmark (not part of this manifest)"
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},
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