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.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| Single best solver: Physically valid protein–ligand pose selection Model: Single best solver · Benchmark: Physically valid protein–ligand pose selection · Dataset: PoseBusters 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
- Molecular embedding-based algorithm selection in protein-ligand docking · Original source · PMC archival version PMC13104262.1
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
Related records
- model: Single best solver
- benchmark: Physically valid protein–ligand pose selection
- dataset: PoseBusters
- evaluation: Single best solver · RMSD ≤1 Å and PB-valid success · PoseBusters