rewirebio.iobenchmarks
Evaluation

AF3 on Telling cognate from shuffled nanobody-antigen pairs by ipTM (Smorodina et al. 2026)

Published comparison; transcribed, not reproduced.

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Release 2026-10-10-6e93f504adfc · Evidence verified: Not verified

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Investigate discrepancies

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  • metric replay: verification is missing
  • annotations: verification is missing
  • dependence: verification is missing

Verified: Not verified

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Evaluation results

1 evaluation · 1 result. Different protocols are not a single leaderboard.

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Applied filters: All linked evaluations

Exact evaluated configurations and original reported results
Tested configurationProtocol and datasetFindingEvidence and details
Configuration: AlphaFold3 3.0.1, 50 diffusion samples, seed 1, built-in data pipeline (Smorodina et al. 2026)Protocol: Telling cognate from shuffled nanobody-antigen pairs by ipTM
Dataset: Smorodina et al. 2026 all-against-all VHH-antigen pairing matrix (91 unique PDB entries)
0.187 average-precision
unitless · higher

Uncertainty: Not reported by the source

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

AF3 on Telling cognate from shuffled nanobody-antigen pairs by ipTM (Smorodina et al. 2026)

structural-20261009-protocol-smorodina2026-vhh-cognate-vs-shuffled

Aggregation: Not reported

Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores · Results P11, 'AP = 0.187' for AF3

Source checking is not independent reproduction. Release 2026-10-10-6e93f504adfc.

Evaluation procedure

structural-20261009-protocol-smorodina2026-vhh-cognate-vs-shuffled

Configuration
AlphaFold3 3.0.1, 50 diffusion samples, seed 1, built-in data pipeline (Smorodina et al. 2026)
Protocol
Telling cognate from shuffled nanobody-antigen pairs by ipTM
Dataset
Smorodina et al. 2026 all-against-all VHH-antigen pairing matrix (91 unique PDB entries)
origin
Independent external evaluation
configuration
Primary source as retrieved 2026-10-09
protocol id
structural-20261009-protocol-smorodina2026-vhh-cognate-vs-shuffled
dataset version
bioRxiv v1 benchmark
split
Mixed: systems inside and outside the tool's training data
inputs
VHH and antigen sequences
adaptation
None
population
All pairings over 91 unique PDB entries
metric implementation
Average precision of the precision-recall curve
aggregation
One curve over all pairings
budget
50 samples per pairing; best ipTM per pairing

Metadata review: source checked. Unreported conditions prevent automatic comparisons.

Reproduction

Split
Mixed: systems inside and outside the tool's training data
Adaptation
None
Scoring implementation
Average precision of the precision-recall curve

No execution recipe has been verified for this exact configuration and evaluation. A benchmark's general instructions may use different inputs, splits or model settings.

Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.

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.

19 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-10-10-6e93f504adfc
Property and statementOriginal source and locationReview and provenance
attributes.comparison.adaptation
None
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.adaptation

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.aggregation
One curve over all pairings
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.aggregation

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.budget
50 samples per pairing; best ipTM per pairing
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.budget

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.dataset_version
bioRxiv v1 benchmark
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.dataset_version

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.inputs
VHH and antigen sequences
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.inputs

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.metric_implementation
Average precision of the precision-recall curve
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.metric_implementation

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.population
All pairings over 91 unique PDB entries
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.population

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.protocol_id
structural-20261009-protocol-smorodina2026-vhh-cognate-vs-shuffled
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.protocol_id

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.comparison.split
Mixed: systems inside and outside the tool's training data
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.split

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

attributes.limitations
1 values
  • Run by authors who did not develop the tool.
Context-only references
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores

Original source ↗

Results P11, 'AF3' AP

Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed
Retrieved: 2026-10-09T21:25:48Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.limitations

Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732

Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py

Inspected artifact

Sources and history

Release 2026-10-10-6e93f504adfc · Record review: source checked

1 source records and release historyDownload this release (gzip)
Technical metadata and extraction receipts

Stable ID: structural-20261009-eval-smorodina2026-vhh-cognate-vs-shuffled-af3

areas
proteins-complexes
contexts
research
origin
independent_paper
protocol
structural-20261009-protocol-smorodina2026-vhh-cognate-vs-shuffled
version
Primary source as retrieved 2026-10-09
comparison
protocol id: structural-20261009-protocol-smorodina2026-vhh-cognate-vs-shuffled; dataset version: bioRxiv v1 benchmark; split: Mixed: systems inside and outside the tool's training data; inputs: VHH and antigen sequences; adaptation: None; population: All pairings over 91 unique PDB entries; metric implementation: Average precision of the precision-recall curve; aggregation: One curve over all pairings; budget: 50 samples per pairing; best ipTM per pairing
source locator
Results P11, 'AF3' AP
limitations
Run by authors who did not develop the tool.
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