Published comparison; transcribed, not reproduced.
1 evaluation · 2 results. Different protocols are not a single leaderboard.
Protocol: FlexMS molecule-to-spectrum prediction on MassSpecGym, embedder-predictor grid (Table 2) · Dataset: MassSpecGym (FlexMS spectrum prediction)
Sorted by Jensen shannon similarity (test split; bin resolution not stated in the caption) (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.
| Tested configuration | Jensen shannon similarity (test split; bin resolution not stated in the caption) | Spectrum cosine similarity (test split; bin resolution not stated in the caption) |
|---|---|---|
| MolMS predictor with GAT embedder (FlexMS)Evaluation | 0.439 | 0.24 |
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: MolMS predictor with GAT embedder (FlexMS) | Protocol: FlexMS molecule-to-spectrum prediction on MassSpecGym, embedder-predictor grid (Table 2) Dataset: MassSpecGym (FlexMS spectrum prediction) | 0.439 Jensen shannon similarity (test split; bin resolution not stated in the caption) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceMolMS with GAT on MassSpecGym spectrum prediction lit20261011-zhong2026-protocol-t2-massspecgym Aggregation: Not reported FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction · Table 2 section 'Jensen-Shannon Similarity (JS Sim)', row 'MolMS', column 'GAT' |
| Configuration: MolMS predictor with GAT embedder (FlexMS) | Protocol: FlexMS molecule-to-spectrum prediction on MassSpecGym, embedder-predictor grid (Table 2) Dataset: MassSpecGym (FlexMS spectrum prediction) | 0.24 Spectrum cosine similarity (test split; bin resolution not stated in the caption) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceMolMS with GAT on MassSpecGym spectrum prediction lit20261011-zhong2026-protocol-t2-massspecgym Aggregation: Not reported FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction · Table 2 section 'Cosine Similarity (Cos Sim)', row 'MolMS', column 'GAT' |
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FlexMS molecule-to-spectrum prediction on MassSpecGym, embedder-predictor grid (Table 2)
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18 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Comparison: adaptation Trained from scratch or fine-tuned end to end Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: aggregation Mean over test spectra Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: budget Not reported Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | missing or unspecified No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: dataset version MassSpecGym as loaded by FlexMS Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: inputs Molecular structure Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: metric implementation Not reported Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | missing or unspecified No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: population Not reported Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | missing or unspecified No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: protocol id lit20261011-zhong2026-protocol-t2-massspecgym Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: split MassSpecGym official split Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Origin independent_paper Context-only references | FlexMS: A Unified Public Benchmark for Molecule Tandem Mass Spectrum Prediction Table 2 row 'MolMS', column 'GAT' Version: arXiv 2602.22822v4 (v1 submitted 2026-02-26; v4 dated 2026-06-24 on the PDF) | not individually reviewed No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
Release 2026-10-23-5347695500ed · Record review: source checked
Stable ID: lit20261011-zhong2026-eval-t2-molms-gat