MIST + MolForge, reimplemented by the authors, corrected (MassSpecGym in the Wild)
MIST + MolForge, reimplemented by the authors, corrected; no settings beyond its name are recorded.
Overview
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Evaluations and results
6 evaluations · 6 results. Different protocols are not a single leaderboard.
Dataset: MassSpecGym test fold, de novo generation with formula (bonus) (MassSpecGym in the Wild)
Sorted by Top-1 accuracy (de novo, exact match) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.
All 6 result rows with coverage, uncertainty and sources
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Source checking is not independent reproduction. Release 2026-10-23-5347695500ed.
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How it works, versions and access
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Evidence
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Evidence table
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Sources and history
Release 2026-10-23-5347695500ed · Record review: source checked
1 source record and release history
- MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery · Original source · arXiv:2606.19624v1 (submitted 2026-06-17), arXiv HTML rendering
Technical metadata and extraction receipts
Stable ID: lit-otheromics-20261011-msgwild-config-mist-plus-molforge-reimplemented-by-the-authors-corrected
- areas
- metabolomics
- contexts
- research
- method types
- supervised_machine_learning
- reported name
- MIST + MolForge† (corrected)
- foundation model eligible
- false
- parameters
- MIST + MolForge, reimplemented by the authors, corrected
- access reuse
- Not stated in the source; see the cited work or https://github.com/pluskal-lab/MassSpecGym
- source locator
- Table 9 row 'MIST + MolForge† (corrected)'
- missing metadata
- version: reason: unreported; note: Only the printed row label identifies the setup
- provenance note
- MIST + MolForge, reimplemented by the authors, corrected, as listed in MassSpecGym in the Wild Table 9.
Related records
- configuration of: MolForge
- system: MIST + MolForge, reimplemented by the authors, corrected on MassSpecGym denovo-bonus (Top-1 Accuracy)
- system: MIST + MolForge, reimplemented by the authors, corrected on MassSpecGym denovo-bonus (Top-1 MCES)
- system: MIST + MolForge, reimplemented by the authors, corrected on MassSpecGym denovo-bonus (Top-1 Tanimoto)
- system: MIST + MolForge, reimplemented by the authors, corrected on MassSpecGym denovo-bonus (Top-10 Accuracy)
- system: MIST + MolForge, reimplemented by the authors, corrected on MassSpecGym denovo-bonus (Top-10 MCES)
- system: MIST + MolForge, reimplemented by the authors, corrected on MassSpecGym denovo-bonus (Top-10 Tanimoto)