Dataset subset reported in MSAlign v1: Table 3. Exact split manifest remains unextracted; source-table identity is retained.
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6 evaluations · 18 results. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: DeepSets | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 5.24% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 4 (DeepSets) |
| Configuration: DeepSets | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 28.2% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 4 (DeepSets) |
| Configuration: DeepSets | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 12.6% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 4 (DeepSets) |
| Configuration: Emb-Cos | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 12.3% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 6 (Emb-Cos) |
| Configuration: Emb-Cos | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 46.4% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 6 (Emb-Cos) |
| Configuration: Emb-Cos | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 26.2% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 6 (Emb-Cos) |
| Configuration: FFN | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 2.54% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 3 (FFN) |
| Configuration: FFN | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 20% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 3 (FFN) |
| Configuration: FFN | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 7.59% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 3 (FFN) |
| Configuration: JESTR | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 11.8% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 5 (JESTR) |
| Configuration: JESTR | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 49.7% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 5 (JESTR) |
| Configuration: JESTR | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 25.3% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 5 (JESTR) |
| Configuration: MSAlign | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 16.2% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 8 (MSAlign) |
| Configuration: MSAlign | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 59.9% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 8 (MSAlign) |
| Configuration: MSAlign | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 35.6% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 8 (MSAlign) |
| Configuration: SAIL | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@1: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 9.5% recall_at_1 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@1, column 7 (SAIL) |
| Configuration: SAIL | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@20: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 45.2% recall_at_20 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@20, column 7 (SAIL) |
| Configuration: SAIL | Protocol: MSAlign molecular retrieval MassSpecGym MCES split: no formula, R@5: MassSpecGym MCES split retrieval with no formula Dataset subset: MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) | 23.9% recall_at_5 percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceSection 5.1 candidate retrieval: 256 mass-matched PubChem candidates per spectrum without formula; formula-conditioned methods can exploit true formula and MSAlign+Filter reduces the pool to about 100. Preserve the named source split; exact original split hashes remain unextracted. Aggregation: Not reported msalign: Primary paper PDF · Table 3, MassSpecGym MCES split, row R@5, column 7 (SAIL) |
Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.
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One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
2 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| description Dataset subset reported in MSAlign v1: Table 3. Exact split manifest remains unextracted; source-table identity is retained. Context-only references | msalign: Primary paper PDF No field-specific location recorded Version: 2605.19752v1 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
| name MassSpecGym MCES split, no formula candidate pool (MSAlign molecular retrieval split) Context-only references | msalign: Primary paper PDF No field-specific location recorded Version: 2605.19752v1 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: SHA-256 of retrieved original artifact bytes Format: original_artifact |
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Release 2026-09-29-06401fd5b220 · Record review: source checked
Stable ID: msalign-2026-table3-dataset-massspecgym-mces-split-no-formula-candidate-pool