evaluation · needs review
DiffDock: Ligand potency prediction using generated poses
Evaluation procedure
Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score.
- Model
- DiffDock
- Benchmark
- Ligand potency prediction using generated poses
- Dataset
- SARS-CoV-2 Mpro ligands
- 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 |
|---|---|---|
| DiffDock: Ligand potency prediction using generated poses Model: DiffDock · Benchmark: Ligand potency prediction using generated poses · Dataset: SARS-CoV-2 Mpro ligands Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score. Independent external evaluation · Evaluation metadata: needs review | ||
| 0.695 Pearson R Unit: unitless · Direction: unknown | Uncertainty: ± 0.037 Scored: Not reported · Eligible: Not reported | source checkedA Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, DiffDock row, Pearson’s R column Source checking is not independent reproduction. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: needs review
- A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Original source · version of record
Technical metadata and extraction receipts
Stable ID: evaluation-lit-048
- areas
- molecular-interactions
- tasks
- Ligand potency prediction using generated poses
- origin
- independent_paper
- protocol
- Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score.
- 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: DiffDock
- benchmark: Ligand potency prediction using generated poses
- dataset: SARS-CoV-2 Mpro ligands
- evaluation: DiffDock · Pearson R · SARS-CoV-2 Mpro ligands