SARS-CoV-2 Mpro ligands
Evaluation results
Release 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| Boltz-2: Ligand potency prediction using generated poses Model: Boltz-2 · Benchmark: Ligand potency prediction using generated poses · Dataset: SARS-CoV-2 Mpro ligands Potency prediction using Boltz-2 ligand-pose generation protocol; see paper scoring pipeline. Independent external evaluation · Evaluation metadata: needs review | ||
| 0.800 Pearson R Unit: unitless · Direction: unknown | Uncertainty: ± 0.027 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, Boltz-2 row, Pearson’s R column Source checking is not independent reproduction. |
| 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: reported-dataset-235520c84b737f
- areas
- molecular-interactions
- version
- Not reported
- split
- Not reported
- missing metadata
- version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; accession: not_reported_in_legacy_extract