rewire.itbenchmarks
Protocol

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box

Source-specific evaluation. Input conditions: docking with ground-truth-centred search box. No equivalence to other releases, protocols or model families is inferred.

1 evaluation · 4 results

Overview

Source-specific evaluation. Input conditions: docking with ground-truth-centred search box. No equivalence to other releases, protocols or model families is inferred.

Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.

Results

Results are available, but no reviewed comparison panel is linked in this release.

All evaluations

1 evaluation · 4 results. Different protocols are not a single leaderboard.

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Exact evaluated configurations and original reported results
Tested configurationProtocol and datasetFindingEvidence and details
Configuration: VinaProtocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box
Dataset subset: Plinder-L95
100% chirality
percent · higher

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

Vina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Aggregation: percentage of molecules with consistent chirality

Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column chirality; footnote a
Configuration: VinaProtocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box
Dataset subset: Plinder-L95
0 angle_rmsd
degree · lower

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

Vina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Aggregation: unreported in Table 1 footnote

Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column angle_rmsd; footnote a
Configuration: VinaProtocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box
Dataset subset: Plinder-L95
0 bond_rmsd
angstrom · lower

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

Vina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Aggregation: median

Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column bond_rmsd; footnote a
Configuration: VinaProtocol: Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95 · docking with ground-truth-centred search box
Dataset subset: Plinder-L95
2.21 ligand_rmsd
angstrom · lower

Uncertainty: Not reported

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

Vina · Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries · Plinder-L95

Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries

Aggregation: median

Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1 (XML tbl1); row Vina; column ligand_rmsd; footnote a

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

Methods and evaluation design

Procedure, tasks and evaluated configurations

Evaluation design

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Each evaluation records what was tested and under which conditions.

Baseline coverage

Reference methods help show what a model adds beyond simple controls. We track a null control and a conventional method for each protocol.

0 of 2 active baseline roles have published Rewire measurements in this release. Measurements on a selected protocol do not establish coverage of an entire suite.

No execution recipe linked to this protocol. Recipe availability does not establish a completed evaluation.

No reviewed evaluations with results linked in this release.

Literature evidence is not a Rewire measurement. Executed but unpublished runs and private review status are not included.

Null control

Proposed control: requires review

Protocol-specific valid geometric or structural control

Protocol-specific applicability, permitted inputs, access, split, evaluator and execution requirements need review before implementation or execution.

This is a suggested selection rule, not a validated method or a measured score.

Conventional reference

Proposed control: requires review

Upstream conventional structural reference with matched templates and cutoffs

Protocol-specific applicability, permitted inputs, access, split, evaluator and execution requirements need review before implementation or execution.

This is a suggested selection rule, not a validated method or a measured score.

Protocol coverage CSV · Model evaluation matrix · Source table · Release and checksums

Coverage is derived from release 2026-09-29-06401fd5b220. Source citations describe the original records; they do not validate an unreviewed baseline proposal. No results have been generated by this audit.

Run instructions

No runnable recipe has been reviewed for this protocol. Dataset access, model requirements, licences and compute requirements must be checked against its sources before execution.

Strengths, limitations and unresolved questions

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.

1 evidence row matching the loaded filters

Claims, original sources and review scope · Release 2026-09-29-06401fd5b220
Property and statementOriginal source and locationReview and provenance
Relationship: part of
discovery-benchmark-plinder
Individual claims
Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction

Original source ↗

Table 1 (XML tbl1); row Vina; column ligand_rmsd; footnote a

Version: version of record
Retrieved: 2026-09-16T10:41:16.555674+00:00

source checked

ai assisted source review · 2026-09-19

Audit details

Field: links:part_of:discovery-benchmark-plinder

Claim: acquired-membership-d016495cd0ef76c37b5a

Source artifact SHA-256: 78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b

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: discovered

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

Stable ID: acquired-protocol-d4acaf69f73675e7a672

source locator
Table 1 (XML tbl1); row Vina; column ligand_rmsd; footnote a
procedure
Paper-specific Plinder-L95 stereochemistry assessment; Table 1 all entries
comparison panels
None recorded
scope limitations
Exact source-defined evaluation scope; reported scores are not rewire reproductions.
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