GraphBind: UniProtSMB test split
Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
Evaluation procedure
Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
- Configuration
- GraphBind
- Protocol
- UniProtSMB test split (protein-small molecule binding-site prediction)
- Dataset
- UniProtSMB test split
- origin
- Independent external evaluation
- configuration
- Paper-specific predictor and its documented input information
- protocol id
- paper-protocol-89b76bfabd1dfe31a6
- dataset version
- Not reported
- split
- Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
- subset
- Not reported
- population
- count: 205848; unit: labelled residues in 496 test proteins
- aggregation
- Not reported
- inputs
- Not reported
- adaptation
- Paper-specific predictor and its documented input information
- budget
- Not reported
- metric implementation
- Not reported
Metadata review: needs review. Unreported conditions prevent automatic comparisons.
Evaluation results
Release 2026-09-17-d277315f7d76 · 1 evaluation · 4 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| GraphBind: UniProtSMB test split Configuration: GraphBindProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)Dataset: UniProtSMB test split Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Independent external evaluation · Evaluation metadata: needs review | ||
| 0.932 ± 0.003 AUROC Unit: unitless · Direction: higher | Uncertainty: printed: 0.003; value: 0.003; type: not explicitly identified in inspected table or caption Scored: Not reported · Eligible: Not reported | source checkedProtein-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 Source checking is not independent reproduction. |
| 0.565 ± 0.020 Recall Unit: unitless · Direction: higher | Uncertainty: printed: 0.020; value: 0.02; type: not explicitly identified in inspected table or caption Scored: Not reported · Eligible: Not reported | source checkedProtein-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 Source checking is not independent reproduction. |
| 0.430 ± 0.007 Precision Unit: unitless · Direction: higher | Uncertainty: printed: 0.007; value: 0.007; type: not explicitly identified in inspected table or caption Scored: Not reported · Eligible: Not reported | source checkedProtein-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 Source checking is not independent reproduction. |
| 0.473 ± 0.007 MCC Unit: unitless · Direction: higher | Uncertainty: printed: 0.007; value: 0.007; type: not explicitly identified in inspected table or caption Scored: Not reported · Eligible: Not reported | source checkedProtein-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 Source checking is not independent reproduction. |
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.
20 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.comparison.adaptation Paper-specific predictor and its documented input information Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.aggregation No value recorded Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.budget No value recorded Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.dataset_version No value recorded Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.inputs No value recorded Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.metric_implementation No value recorded Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.population.count 205848 Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.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 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 | 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 |
| attributes.comparison.protocol_id paper-protocol-89b76bfabd1dfe31a6 Context-only references | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning 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 | 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 |
| attributes.comparison.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 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 | 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 |
Sources and history
Release 2026-09-17-d277315f7d76 · Record review: needs review
- Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Original source · version of record
Technical metadata and extraction receipts
Stable ID: paper-evaluation-d54565407fff7b51cf
- areas
- proteins-complexes
- tasks
- protein-small molecule binding-site prediction
- origin
- independent_paper
- protocol
- Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
- version
- Paper-specific predictor and its documented input information
- comparison
- protocol id: paper-protocol-89b76bfabd1dfe31a6; dataset version: Not reported; split: Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.; subset: Not reported; population: count: 205848; unit: labelled residues in 496 test proteins; aggregation: Not reported; inputs: Not reported; adaptation: Paper-specific predictor and its documented input information; budget: Not reported; metric implementation: Not reported
- 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
- checkpoint revision: unextracted; budget: unreported; split manifest: unextracted
Related records
- model: GraphBind
- benchmark: UniProtSMB test split (protein-small molecule binding-site prediction)
- dataset: UniProtSMB test split
- evaluation: GraphBind: AUROC on UniProtSMB test split
- evaluation: GraphBind: Recall on UniProtSMB test split
- evaluation: GraphBind: Precision on UniProtSMB test split
- evaluation: GraphBind: MCC on UniProtSMB test split