rewire.itbenchmarks
Dataset

UniProtSMB test split

Dataset and cohort used in the cited comparison. Dataset population counts do not establish successful prediction coverage.

Research readiness

These checks assess whether the evidence supports a reproducible investigation. A source-checked score alone does not meet these requirements.

Release 2026-09-29-06401fd5b220 · Evidence verified: Not verified

Evidence incomplete

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Verified: Not verified

Evidence incomplete

Investigate discrepancies

Replay evidence includes annotations and an assessment of dependence. Unknown independence permits descriptive analysis only.

Missing or unresolved evidence

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Verified: Not verified

Evidence incomplete

Run locally

A pinned recipe describes the inputs, environment and resource requirements.

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Verified: Not verified

Evidence incomplete

Validate independently

Separate data and exposure records support an independent test.

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Verified: Not verified

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No verified artifact manifest is connected to this record yet. The gaps above identify what is needed before analysis can begin.

Read reviewed discrepancy investigations

Evaluation results

4 evaluations · 16 results. Different protocols are not a single leaderboard.

Filter evaluations

Applied filters: All linked evaluations

Exact evaluated configurations and original reported results
Tested configurationProtocol and datasetFindingEvidence and details
Configuration: DeepProSiteProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.490 ± 0.013 Recall
unitless · higher

Uncertainty: printed: 0.013; value: 0.013; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

DeepProSite: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall
Configuration: CLAPE-SMBProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.743 ± 0.040 Precision
unitless · higher

Uncertainty: printed: 0.040; value: 0.04; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

CLAPE-SMB: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 5 CLAPE-SMB, column 3: UniProtSMB test split Precision
Configuration: CLAPE-SMBProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.673 ± 0.031 Recall
unitless · higher

Uncertainty: printed: 0.031; value: 0.031; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

CLAPE-SMB: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall
Configuration: GraphBindProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.932 ± 0.003 AUROC
unitless · higher

Uncertainty: printed: 0.003; value: 0.003; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

GraphBind: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 3 GraphBind, column 5: UniProtSMB test split AUROC
Configuration: GraphBindProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.565 ± 0.020 Recall
unitless · higher

Uncertainty: printed: 0.020; value: 0.02; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

GraphBind: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall
Configuration: P2RankProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
N/A AUROC
unitless · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

P2Rank: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 2 P2Rank, column 5: UniProtSMB test split AUROC
Configuration: P2RankProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.236 MCC
unitless · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

P2Rank: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 2 P2Rank, column 4: UniProtSMB test split MCC
Configuration: CLAPE-SMBProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.699 ± 0.004 MCC
unitless · higher

Uncertainty: printed: 0.004; value: 0.004; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

CLAPE-SMB: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 5 CLAPE-SMB, column 4: UniProtSMB test split MCC
Configuration: P2RankProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.124 Precision
unitless · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

P2Rank: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 2 P2Rank, column 3: UniProtSMB test split Precision
Configuration: DeepProSiteProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.756 ± 0.005 Precision
unitless · higher

Uncertainty: printed: 0.005; value: 0.005; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

DeepProSite: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 4 DeepProSite, column 3: UniProtSMB test split Precision
Configuration: P2RankProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.632 Recall
unitless · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

P2Rank: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall
Configuration: DeepProSiteProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.598 ± 0.006 MCC
unitless · higher

Uncertainty: printed: 0.006; value: 0.006; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

DeepProSite: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 4 DeepProSite, column 4: UniProtSMB test split MCC
Configuration: GraphBindProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.430 ± 0.007 Precision
unitless · higher

Uncertainty: printed: 0.007; value: 0.007; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

GraphBind: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 3 GraphBind, column 3: UniProtSMB test split Precision
Configuration: DeepProSiteProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.965 ± 0.001 AUROC
unitless · higher

Uncertainty: printed: 0.001; value: 0.001; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

DeepProSite: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 4 DeepProSite, column 5: UniProtSMB test split AUROC
Configuration: GraphBindProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.473 ± 0.007 MCC
unitless · higher

Uncertainty: printed: 0.007; value: 0.007; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

GraphBind: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 3 GraphBind, column 4: UniProtSMB test split MCC
Configuration: CLAPE-SMBProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)
Dataset: UniProtSMB test split
0.960 ± 0.001 AUROC
unitless · higher

Uncertainty: printed: 0.001; value: 0.001; type: not explicitly identified in inspected table or caption

Coverage: Not reported scored / Not reported eligible

Author-reported evaluation · Source checked
Methods, coverage and source

CLAPE-SMB: UniProtSMB test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Aggregation: Not reported

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 4 (Tab4), row 5 CLAPE-SMB, column 5: UniProtSMB test split AUROC

Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.

Dataset and evaluation context

A dataset supplies biological observations. The evaluation protocol defines how those observations are split, used and scored.

Evidence

Source checking verifies the cited claim or transcription. It does not establish independent reproduction.

Evidence table

Inspect claims, sources and review details

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.

7 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-09-29-06401fd5b220
Property and statementOriginal source and locationReview and provenance
attributes.reported_population.count
205848
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.reported_population.count

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.reported_population.unit
labelled residues in 496 test proteins
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.reported_population.unit

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.source_locator
Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.source_locator

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.split
Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.split

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.subset
Not reported
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

missing or unspecified

No individual claim review recorded

Audit details

Field: attributes.subset

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

description
Dataset and cohort used in the cited comparison. Dataset population counts do not establish successful prediction coverage.
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: description

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

name
UniProtSMB test split
Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: name

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

Sources and history

View linked audit checks and correction history

Release 2026-09-29-06401fd5b220 · Record review: needs review

1 source records and release historyDownload this release
Technical metadata and extraction receipts

Stable ID: paper-dataset-7ed13bec749f1e245b

areas
proteins-complexes
tasks
protein-small molecule binding-site prediction
split
Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
subset
Not reported
reported population
count: 205848; unit: labelled residues in 496 test proteins
source locator
Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall
missing metadata
manifest: unextracted; scored count: unreported
entity classification
review date: 2026-09-17; rationale: This record identifies a biological data collection or source-labelled evaluation cohort. Keep its dataset identity; split, assay, taxonomic level, candidate restrictions and comparison context remain attributes rather than automatically becoming new entity kinds.; source ids: clape-smb-2024; source locator: Comparison of CLAPE-SMB with other models on the UniProtSMB; Table 4 (Tab4), row 2 P2Rank, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 4 DeepProSite, column 2: UniProtSMB test split Recall; Table 4 (Tab4), row 5 CLAPE-SMB, column 2: UniProtSMB test split Recall; ambiguities: The name suggests a selected cohort, but this record has no verified parent-dataset relationship or independently pinned membership manifest. Retain dataset rather than infer a new parent/subset identity from its name alone.
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