rewirebio.iobenchmarks
Dataset

PoseBusters v1 (428 protein-small molecule complexes)

PoseBusters version 1, 428 protein-small molecule complexes; success rates taken from the literature by the LiPP authors.

Evaluation results

3 evaluations · 3 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: AlphaFold 3 (LiPP evaluation)Protocol: LiPP Table 2: lipid pose all-atom RMSD below 2 Angstrom, PoseBusters v1
Dataset: PoseBusters v1 (428 protein-small molecule complexes)
†76.4 {72.1–80.3}% Ligand RMSD under 2a rate (ligand pose RMSD below 2 Angstrom, as reported in the cited literature; PoseBusters v1)
percent · higher

Uncertainty: 95% CI 72.1 to 80.3. Exact binomial interval (table footnote a: 'lower and upper bounds of the 95% confidence intervals calculated with exact binomial distribution')

Coverage: Not reported scored / Not reported eligible

Result quoted from another source · Source checked
Methods, coverage and source

AlphaFold 3 on PoseBusters v1 (lipid pose all-atom RMSD below 2 Angstrom)

lit-structure-20261011-lipp-protocol-rmsd-posebusters-v1-428

Aggregation: Not reported

The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, row 'AlphaFold 3', column 'PoseBusters v1 (N = 428) % Success Rate'
Configuration: Chai-1 (LiPP evaluation)Protocol: LiPP Table 2: lipid pose all-atom RMSD below 2 Angstrom, PoseBusters v1
Dataset: PoseBusters v1 (428 protein-small molecule complexes)
77% Ligand RMSD under 2a rate (ligand pose RMSD below 2 Angstrom, as reported in the cited literature; PoseBusters v1)
percent · higher

Uncertainty: Not reported by the source

Coverage: Not reported scored / Not reported eligible

Result quoted from another source · Source checked
Methods, coverage and source

Chai-1 on PoseBusters v1 (lipid pose all-atom RMSD below 2 Angstrom)

lit-structure-20261011-lipp-protocol-rmsd-posebusters-v1-428

Aggregation: Not reported

The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, row 'Chai-1', column 'PoseBusters v1 (N = 428) % Success Rate'
Configuration: RoseTTAFold AA (LiPP evaluation)Protocol: LiPP Table 2: lipid pose all-atom RMSD below 2 Angstrom, PoseBusters v1
Dataset: PoseBusters v1 (428 protein-small molecule complexes)
42% Ligand RMSD under 2a rate (ligand pose RMSD below 2 Angstrom, as reported in the cited literature; PoseBusters v1)
percent · higher

Uncertainty: Not reported by the source

Coverage: Not reported scored / Not reported eligible

Result quoted from another source · Source checked
Methods, coverage and source

RoseTTAFold AA on PoseBusters v1 (lipid pose all-atom RMSD below 2 Angstrom)

lit-structure-20261011-lipp-protocol-rmsd-posebusters-v1-428

Aggregation: Not reported

The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods · Table 2, row 'RoseTTAFold AA', column 'PoseBusters v1 (N = 428) % Success Rate'

Source checking is not independent reproduction. Release 2026-10-22-1b7cf027e4f6.

Research readiness

0 of 4 readiness checks met. These checks assess whether the evidence supports a reproducible investigation; a source-checked score alone does not meet them.

Readiness checks, gaps and artifacts

Release 2026-10-22-1b7cf027e4f6 · Evidence verified: Not verified

Evidence incomplete

Replay metrics

Exact outcomes, predictions, identifiers and evaluator are connected.

Missing or unresolved evidence

  • No verified artifact manifest is linked to this exact record.
  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • Metrics are recomputed from the saved predictions: not yet verified

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

  • No verified artifact manifest is linked to this exact record.
  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • Metrics are recomputed from the saved predictions: not yet verified
  • Sample annotations are recorded: not yet verified
  • Dependence between samples is assessed: not yet verified

Verified: Not verified

Evidence incomplete

Run locally

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

Missing or unresolved evidence

  • No verified artifact manifest is linked to this exact record.
  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • A pinned run recipe exists: not yet verified
  • Compute requirements are estimated: not yet verified

Verified: Not verified

Evidence incomplete

Validate independently

Separate data and exposure records support an independent test.

Missing or unresolved evidence

  • No verified artifact manifest is linked to this exact record.
  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • Independent validation data exist: not yet verified
  • Overlap with training data is checked: not yet verified

Verified: Not verified

Readiness describes the evidence in this release. Availability on your computer is checked separately when an investigation runs. Existing data exposure can prevent independent validation even when files are available.

Artifacts and reproduction

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

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.

6 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-10-22-1b7cf027e4f6
Property and statementOriginal source and locationReview and provenance
Population
428 complexes (PoseBusters v1)
Context-only references
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods

Original source ↗

Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')

Version: PMC13292216.1
Retrieved: 2026-09-17T07:56:27.507412+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.population

Source artifact SHA-256: 6ff34f2f709a14858a3753abf9f8f6efa1e7e3c351f15c70cf64264193a9414e

Hash scope: Exact retrieved primary paper artifact bytes.

Inspected artifact

Source location
Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')
Context-only references
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods

Original source ↗

Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')

Version: PMC13292216.1
Retrieved: 2026-09-17T07:56:27.507412+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.source_locator

Source artifact SHA-256: 6ff34f2f709a14858a3753abf9f8f6efa1e7e3c351f15c70cf64264193a9414e

Hash scope: Exact retrieved primary paper artifact bytes.

Inspected artifact

Split
PoseBusters v1
Context-only references
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods

Original source ↗

Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')

Version: PMC13292216.1
Retrieved: 2026-09-17T07:56:27.507412+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.split

Source artifact SHA-256: 6ff34f2f709a14858a3753abf9f8f6efa1e7e3c351f15c70cf64264193a9414e

Hash scope: Exact retrieved primary paper artifact bytes.

Inspected artifact

Total
428
Context-only references
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods

Original source ↗

Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')

Version: PMC13292216.1
Retrieved: 2026-09-17T07:56:27.507412+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.total

Source artifact SHA-256: 6ff34f2f709a14858a3753abf9f8f6efa1e7e3c351f15c70cf64264193a9414e

Hash scope: Exact retrieved primary paper artifact bytes.

Inspected artifact

Description
PoseBusters version 1, 428 protein-small molecule complexes; success rates taken from the literature by the LiPP authors.
Context-only references
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods

Original source ↗

Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')

Version: PMC13292216.1
Retrieved: 2026-09-17T07:56:27.507412+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: description

Source artifact SHA-256: 6ff34f2f709a14858a3753abf9f8f6efa1e7e3c351f15c70cf64264193a9414e

Hash scope: Exact retrieved primary paper artifact bytes.

Inspected artifact

Name
PoseBusters v1 (428 protein-small molecule complexes)
Context-only references
The LiPP Benchmark Set for Modeling Lipid–Protein Complexes: Comparison of Co-Folding and Docking Methods

Original source ↗

Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')

Version: PMC13292216.1
Retrieved: 2026-09-17T07:56:27.507412+00:00

not individually reviewed

No individual claim review recorded

Audit details

Field: name

Source artifact SHA-256: 6ff34f2f709a14858a3753abf9f8f6efa1e7e3c351f15c70cf64264193a9414e

Hash scope: Exact retrieved primary paper artifact bytes.

Inspected artifact

Sources and history

Release 2026-10-22-1b7cf027e4f6 · Record review: source checked

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

Stable ID: lit-structure-20261011-lipp-data-posebusters-v1-428

areas
protein-structure; molecular-interactions
contexts
research
population
428 complexes (PoseBusters v1)
split
PoseBusters v1
total
428
source locator
Tables 2 and 3 column headings; Table 3 footnote a ('N denotes the total number of complexes in each dataset')
missing metadata
version: reason: unreported; note: PoseBusters set versions are named v1 and v2 without a release identifier
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