{
 "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",
  "file_count_excluding_stats_and_sums": 59,
  "bytes_excluding_stats_and_sums": 194215545,
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  "documentation": [
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   "distribution": "distributed with the Hugging Face dataset placeholder dsadd4/UltraMS-MSnLib-Benchmark"
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   "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",
   "license": "CC BY 4.0",
   "format": "18 per-file MS2 JSONL record lists (*_ms2.json)",
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   "n_records_total": 560084,
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   "content": "JSON object mapping a query SMILES string to its candidate SMILES list (9,886 query entries)",
   "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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