rewire.it
evaluation · needs review

Single best solver: Physically valid protein–ligand pose selection

Evaluation procedure

Single best solver baseline under the same averaged five-fold selection test.

Model
Single best solver
Benchmark
Physically valid protein–ligand pose selection
Dataset
PoseBusters
origin
Independent external evaluation
configuration
Not reported
protocol id
Not reported
dataset version
Not reported
split
Not reported
population
Not reported
inputs
Not reported
adaptation
Not reported
metric implementation
Not reported
aggregation
Not reported
budget
Not reported

Metadata review: needs review. Unreported conditions prevent automatic comparisons.

Evaluation results

Release 2026-09-16-d74d282221a9 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard.

Results grouped by the exact reported evaluation
Metric and findingCoverage and uncertaintyEvidence
Single best solver: Physically valid protein–ligand pose selection

Single best solver baseline under the same averaged five-fold selection test.

Independent external evaluation · Evaluation metadata: needs review

34.34 RMSD ≤1 Å and PB-valid success

Unit: % · Direction: unknown

Uncertainty: not reported in legacy extract

Scored: Not reported · Eligible: Not reported

source checkedMolecular embedding-based algorithm selection in protein-ligand docking · Table 3, PoseBusters / Mixed / AutoDock row, SBS success column

Source checking is not independent reproduction.

Sources and history

Release 2026-09-16-d74d282221a9 · Record review: needs review

Download this release
Technical metadata and extraction receipts

Stable ID: evaluation-lit-b3-045

areas
molecular-interactions
tasks
Physically valid protein–ligand pose selection
origin
independent_paper
protocol
Single best solver baseline under the same averaged five-fold selection test.
version
Not reported
comparison
protocol id: Not reported; dataset version: Not reported; split: Not reported; population: Not reported; inputs: Not reported; adaptation: Not reported; metric implementation: Not reported; aggregation: Not reported; budget: Not reported
missing metadata
model version: not_reported_in_legacy_extract; dataset version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract
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