Protocol

MassSpecGym · main (MassSpecGym De novo molecule generation)

MassSpecGym · main · Table 2. Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split

MassSpecGym: A benchmark for the discovery and identification of molecules · Table 2: Top-1 accuracy, main

3 evaluations · 18 metric rows

At a glance

Explanatory profile: limited source coverage · Automated source review, 2026-09-17. Review applies to the cited claims; unresolved fields are listed below. Numerical results retain their own review status.

How it works

Evaluation in this paper

Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split

MassSpecGym: A benchmark for the discovery and identification of molecules · Table 2: Top-1 accuracy, main

Evaluation design

Benchmarks bring together tasks and protocols. A task describes the biological question; a protocol defines a particular test.

Benchmarks

MassSpecGym

Tasks

MassSpecGym De novo molecule generation

These source-backed links do not make different protocols or scores interchangeable.

Recorded evaluations

Each evaluation records what was tested and under which conditions.

Published comparisons

Explore the results reported under one evaluation protocol. Each figure keeps its source, dataset and metric together; it is not a ranking across studies.

Comparison and metric

MassSpecGym · main · Table 2

Top-1 accuracy (fraction) · Higher values are better for this metric.

Evaluation protocol · MassSpecGym · main

Random chemical generation (main) · Configuration · Author-reported evaluation0.00
SMILES Transformer (main) · Configuration · Author-reported evaluation0.00
SELFIES Transformer (main) · Configuration · Author-reported evaluation0.00

Source order is preserved. Plotted marks show point estimates; uncertainty, where reported, is retained in the printed values and table. Differences do not establish statistical significance.

MassSpecGym: A benchmark for the discovery and identification of molecules · Table 2: Top-1 accuracy, main

Values, uncertainty and evidence

Top-1 accuracy: original source values
Tested entity	Printed value	Uncertainty	Evidence
Random chemical generation (main) · Configuration	0.00 fraction	Not reported	Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-1 accuracy
SMILES Transformer (main) · Configuration	0.00 fraction	Not reported	Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-1 accuracy
SELFIES Transformer (main) · Configuration	0.00 fraction	Not reported	Author-reported evaluation · source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-1 accuracy

Scope and limitations

Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.
Zero generation accuracy is a reported result, not missingness.
No checkpoint revision inferred from method name.
Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.
Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.

Source transcription and grouping reviewed by automated source review on 2026-09-17. These experiments were not independently reproduced by rewire.

Tested entities and results

Release 2026-09-17-d277315f7d76 · 3 evaluations · 18 metric rows. Different protocols are not a single leaderboard.

Evaluation setupMetricEvidence origin

Results grouped by the exact reported evaluation
Metric and finding	Coverage and uncertainty	Evidence
SMILES Transformer (main): MassSpecGym · main Configuration: SMILES Transformer (main)Protocol: MassSpecGym · main (MassSpecGym De novo molecule generation)Dataset: MassSpecGym · main Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review
0.00 Top-1 accuracy Unit: fraction · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-1 accuracy Source checking is not independent reproduction.
53.80 (52.95-54.61) Top-1 MCES Unit: edge-edit distance · Direction: lower	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 52.95; upper: 54.61 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-1 MCES Source checking is not independent reproduction.
0.00 Top-10 accuracy Unit: fraction · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-10 accuracy Source checking is not independent reproduction.
0.07 (0.07 - 0.08) Top-1 Tanimoto Unit: dimensionless · Direction: higher	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 0.07; upper: 0.08 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-1 Tanimoto Source checking is not independent reproduction.
0.17 (0.17 - 0.17) Top-10 Tanimoto Unit: dimensionless · Direction: higher	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 0.17; upper: 0.17 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-10 Tanimoto Source checking is not independent reproduction.
21.97 (21.79-22.16) Top-10 MCES Unit: edge-edit distance · Direction: lower	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 21.79; upper: 22.16 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SMILES Transformer, Top-10 MCES Source checking is not independent reproduction.
SELFIES Transformer (main): MassSpecGym · main Configuration: SELFIES Transformer (main)Protocol: MassSpecGym · main (MassSpecGym De novo molecule generation)Dataset: MassSpecGym · main Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review
0.00 Top-1 accuracy Unit: fraction · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-1 accuracy Source checking is not independent reproduction.
21.84 (21.67-22.00) Top-10 MCES Unit: edge-edit distance · Direction: lower	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 21.67; upper: 22.00 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-10 MCES Source checking is not independent reproduction.
0.00 Top-10 accuracy Unit: fraction · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-10 accuracy Source checking is not independent reproduction.
33.28 (33.00-33.57) Top-1 MCES Unit: edge-edit distance · Direction: lower	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 33.00; upper: 33.57 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-1 MCES Source checking is not independent reproduction.
0.15 (0.15 - 0.15) Top-10 Tanimoto Unit: dimensionless · Direction: higher	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 0.15; upper: 0.15 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-10 Tanimoto Source checking is not independent reproduction.
0.10 (0.10 - 0.10) Top-1 Tanimoto Unit: dimensionless · Direction: higher	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 0.10; upper: 0.10 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, SELFIES Transformer, Top-1 Tanimoto Source checking is not independent reproduction.
Random chemical generation (main): MassSpecGym · main Configuration: Random chemical generation (main)Protocol: MassSpecGym · main (MassSpecGym De novo molecule generation)Dataset: MassSpecGym · main Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Author-reported evaluation · Evaluation metadata: needs review
28.59 (28.33-28.84) Top-1 MCES Unit: edge-edit distance · Direction: lower	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 28.33; upper: 28.84 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-1 MCES Source checking is not independent reproduction.
0.00 Top-10 accuracy Unit: fraction · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-10 accuracy Source checking is not independent reproduction.
25.72 (25.49-25.95) Top-10 MCES Unit: edge-edit distance · Direction: lower	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 25.49; upper: 25.95 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-10 MCES Source checking is not independent reproduction.
0.10 (0.10 - 0.10) Top-10 Tanimoto Unit: dimensionless · Direction: higher	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 0.10; upper: 0.10 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-10 Tanimoto Source checking is not independent reproduction.
0.00 Top-1 accuracy Unit: fraction · Direction: higher	Uncertainty: unreported Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-1 accuracy Source checking is not independent reproduction.
0.07 (0.07 - 0.07) Top-1 Tanimoto Unit: dimensionless · Direction: higher	Uncertainty: type: bootstrap confidence interval; level: 0.999; resamples: 20000; lower: 0.07; upper: 0.07 Scored: Not reported · Eligible: Not reported	source checkedMassSpecGym: A benchmark for the discovery and identification of molecules · Table 2, main challenge, Random chemical generation, Top-1 Tanimoto Source checking is not independent reproduction.

Papers and result coverage

Last literature check: 2026-09-17. Primary-source discovery and table/protocol screening; source checked is not independently reproduced. Raw acquisitions not automatically numerical publication approval.

Paper or primary resource	Version	Reference
MassSpecGym: A benchmark for the discovery and identification of molecules	2410.23326v1	Read source

What is still missing

Independent batch review before import; preserve existing observation identities.

Search and extraction details

complete comparison tables extracted pending publication review

Searches

MassSpecGym 2410.23326 benchmark results Table 1 Table 2

Evidence locations

Table 2: Top-1 accuracy, main

Strengths and limitations

Strengths and considerations

No source-reviewed explanatory claims are recorded here yet.

Limitations and conditions

No source-reviewed explanatory claims are recorded here yet.

Profile review details

Primary-source transcription and separate automated review. No human sign-off or experimental reproduction.

Stable record: paper-protocol-9e2c05cdecc9a3241c

Evidence table

Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.

One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.

4 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-09-17-d277315f7d76
Property and statement	Original source and location	Review and provenance
Evaluation in this paper Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Individual claims	MassSpecGym: A benchmark for the discovery and identification of molecules Original source ↗ Table 2: Top-1 accuracy, main Version: 2410.23326v1 Retrieved: 2026-09-17T07:56:11.146650+00:00	source checked automated source review · 2026-09-17 Audit details Primary-source transcription and separate automated review. No human sign-off or experimental reproduction. Field: `attributes.profile.sections.0.body` Source artifact SHA-256: `82176d50e8947c8b9baa2a0d91493f5680c0e4c7e25a2266ff7879f48a58c40c` Hash scope: Exact retrieved primary paper artifact bytes. Inspected artifact
Introduction MassSpecGym · main · Table 2. Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split Individual claims	MassSpecGym: A benchmark for the discovery and identification of molecules Original source ↗ Table 2: Top-1 accuracy, main Version: 2410.23326v1 Retrieved: 2026-09-17T07:56:11.146650+00:00	source checked automated source review · 2026-09-17 Audit details Primary-source transcription and separate automated review. No human sign-off or experimental reproduction. Field: `attributes.profile.summary` Source artifact SHA-256: `82176d50e8947c8b9baa2a0d91493f5680c0e4c7e25a2266ff7879f48a58c40c` Hash scope: Exact retrieved primary paper artifact bytes. Inspected artifact
Relationship: evaluates task discovery-benchmark-massspecgym-de-novo-molecule-generation Individual claims	MassSpecGym: A benchmark for the discovery and identification of molecules Original source ↗ Table 2: Top-1 accuracy, main Version: 2410.23326v1 Retrieved: 2026-09-17T07:56:11.146650+00:00	source checked automated source review · 2026-09-17 Audit details Field: `links:evaluates_task:discovery-benchmark-massspecgym-de-novo-molecule-generation` Claim: paper-claim-9131dcecc02ad9e836 Source artifact SHA-256: `82176d50e8947c8b9baa2a0d91493f5680c0e4c7e25a2266ff7879f48a58c40c` Hash scope: Exact retrieved primary paper artifact bytes. Inspected artifact
Relationship: part of discovery-benchmark-massspecgym Individual claims	MassSpecGym: A benchmark for the discovery and identification of molecules Original source ↗ Table 2: Top-1 accuracy, main Version: 2410.23326v1 Retrieved: 2026-09-17T07:56:11.146650+00:00	source checked automated source review · 2026-09-17 Audit details Field: `links:part_of:discovery-benchmark-massspecgym` Claim: paper-claim-7f96e8ca23e2f2304d Source artifact SHA-256: `82176d50e8947c8b9baa2a0d91493f5680c0e4c7e25a2266ff7879f48a58c40c` Hash scope: Exact retrieved primary paper artifact bytes. Inspected artifact

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Sources and history

Release 2026-09-17-d277315f7d76 · Record review: needs review

MassSpecGym: A benchmark for the discovery and identification of molecules · Original source · 2410.23326v1

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Technical metadata and extraction receipts

Stable ID: paper-protocol-9e2c05cdecc9a3241c

areas: metabolomics
entity level: protocol
protocol: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split
comparison panels: id: part2-massspecgym-table2-eaf9691d7e; title: MassSpecGym · main · Table 2; protocol id: paper-protocol-9e2c05cdecc9a3241c; dataset id: paper-dataset-c25f9f3bb2961b23d5; metric: Top-1 accuracy; unit: fraction; direction: higher; result ids: paper-result-cdb00f17075ddae1d4; paper-result-001ce58c5292191491; paper-result-114b6658eaef67bace; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-1 accuracy, main; context: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table2-09fb9292ad; title: MassSpecGym · main · Table 2; protocol id: paper-protocol-9e2c05cdecc9a3241c; dataset id: paper-dataset-c25f9f3bb2961b23d5; metric: Top-1 MCES; unit: edge-edit distance; direction: lower; result ids: paper-result-5e7fd1597e90064dde; paper-result-5dbec6173d09a309db; paper-result-39e03e2651a3119076; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-1 MCES, main; context: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table2-f34201e2e4; title: MassSpecGym · main · Table 2; protocol id: paper-protocol-9e2c05cdecc9a3241c; dataset id: paper-dataset-c25f9f3bb2961b23d5; metric: Top-1 Tanimoto; unit: dimensionless; direction: higher; result ids: paper-result-fe122a4b95cfa19aec; paper-result-d8b7f603a24a1acf17; paper-result-a8a01911a2a38153bb; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-1 Tanimoto, main; context: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table2-363b3d3145; title: MassSpecGym · main · Table 2; protocol id: paper-protocol-9e2c05cdecc9a3241c; dataset id: paper-dataset-c25f9f3bb2961b23d5; metric: Top-10 accuracy; unit: fraction; direction: higher; result ids: paper-result-bc4465183b3bdd05e9; paper-result-b11072597f662ee8a3; paper-result-26d9400143fc2fd637; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-10 accuracy, main; context: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table2-9a67349dfe; title: MassSpecGym · main · Table 2; protocol id: paper-protocol-9e2c05cdecc9a3241c; dataset id: paper-dataset-c25f9f3bb2961b23d5; metric: Top-10 MCES; unit: edge-edit distance; direction: lower; result ids: paper-result-c4d079d645b148475c; paper-result-ef245bf2ce8115f850; paper-result-198ffa156afdd9aafa; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-10 MCES, main; context: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17; id: part2-massspecgym-table2-8afdec59d8; title: MassSpecGym · main · Table 2; protocol id: paper-protocol-9e2c05cdecc9a3241c; dataset id: paper-dataset-c25f9f3bb2961b23d5; metric: Top-10 Tanimoto; unit: dimensionless; direction: higher; result ids: paper-result-c8b08ae7e71a836a51; paper-result-ddf10b5e3e4f655b34; paper-result-724980ddce45409480; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-10 Tanimoto, main; context: Generate candidate molecules from an input spectrum. Compare within the same main/formula challenge and metric. Main random generation uses precursor mass; the Transformer consumes the spectrum. MCES single-linkage molecular clustering at threshold 10; fixed held-out test split; caveats: Source metric equations define hit rates as fractions, while table values use percentage scale; recorded values are not rescaled.; Zero generation accuracy is a reported result, not missingness.; No checkpoint revision inferred from method name.; Bootstrap CIs reflect resampling of this test set; not independently reproduced and not seed standard deviations.; Full table retained, including weaker/random methods and unavailable formula-simulation similarity cells.; review: method: automated_source_review; date: 2026-09-17
benchmark research: review date: 2026-09-17; status: complete_comparison_tables_extracted_pending_publication_review; primary sources: part2-massspecgym-arxiv-v1; inspected locators: Table 2: Top-1 accuracy, main; searched queries: MassSpecGym 2410.23326 benchmark results Table 1 Table 2; gaps: Independent batch review before import; preserve existing observation identities.; claim scope: Primary-source discovery and table/protocol screening; source checked is not independently reproduced. Raw acquisitions not automatically numerical publication approval.
legacy kinds: benchmark
entity classification: review date: 2026-09-17; rationale: The source-backed record identifies a specified evaluated procedure and its dataset/split/scoring context. Classify it as a protocol while preserving version and comparison restrictions.; source ids: part2-massspecgym-arxiv-v1; source locator: Table 2: Top-1 accuracy, main; ambiguities: None recorded

Related records

evaluates task: MassSpecGym De novo molecule generation
part of: MassSpecGym
subject: MassSpecGym · main (MassSpecGym De novo molecule generation): links:part_of:discovery-benchmark-massspecgym
subject: MassSpecGym · main (MassSpecGym De novo molecule generation): links:evaluates_task:discovery-benchmark-massspecgym-de-novo-molecule-generation
benchmark: SMILES Transformer (main): MassSpecGym · main
benchmark: Random chemical generation (main): MassSpecGym · main
benchmark: SELFIES Transformer (main): MassSpecGym · main

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