evaluation · needs review

MolAS: Physically valid protein–ligand pose selection

Evaluation procedure

Averaged five-fold algorithm-selection performance on PoseBusters; joint RMSD and validity criterion.

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

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

Evaluated configurationMetricEvidence origin

Results grouped by the exact reported evaluation
Metric and finding	Coverage and uncertainty	Evidence
MolAS: Physically valid protein–ligand pose selection Model: MolAS · Benchmark: Physically valid protein–ligand pose selection · Dataset: PoseBusters Averaged five-fold algorithm-selection performance on PoseBusters; joint RMSD and validity criterion. Author-reported evaluation · Evaluation metadata: needs review
36.69 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, MolAS success column Source checking is not independent reproduction.

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

Technical metadata and extraction receipts

Stable ID: evaluation-lit-b3-044

areas: molecular-interactions
tasks: Physically valid protein–ligand pose selection
origin: author_reported
protocol: Averaged five-fold algorithm-selection performance on PoseBusters; joint RMSD and validity criterion.
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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