ENN on ATOM3D LEP-AUROC: Ligand efficacy prediction
ATOM3D evaluation of ENN on Ligand efficacy prediction, scored with AUROC.
Methods and reproduction
ATOM3D evaluation of ENN on Ligand efficacy prediction, scored with AUROC.
- task
- ATOM3D LEP-AUROC: Ligand efficacy prediction
- method
- ENN
- dataset subset
- ATOM3D LEP (ATOM3D split)
- Split
- Not reported
- Adaptation
- Not reported
- Scoring implementation
- AUROC
No execution recipe has been verified for this exact configuration and evaluation. A benchmark's general instructions may use different inputs, splits or model settings.
Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.
Evaluation procedure
Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
- Method
- ENN
- Task
- ATOM3D LEP-AUROC: Ligand efficacy prediction
- Dataset subset
- ATOM3D LEP (ATOM3D split)
- origin
- Author-reported evaluation
- configuration
- Not reported
- protocol id
- atom3d-task-lep-auroc
- metric implementation
- AUROC
Metadata review: source checked. Unreported conditions prevent automatic comparisons.
Evaluation results
Release 2026-09-17-134cd1815de8 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard. Where several source tables report the same metric, the published comparisons above offer a pooled view that names what it does not hold constant.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| ENN on ATOM3D LEP-AUROC: Ligand efficacy prediction Method: ENNTask: ATOM3D LEP-AUROC: Ligand efficacy predictionDataset subset: ATOM3D LEP (ATOM3D split) Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed. Author-reported evaluation · Evaluation metadata: source checked | ||
| 0.663 auroc Unit: fraction · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 5, row(LEP AUROC), column(ENN) Source checking is not independent reproduction. |
Evidence table
Inspect claims, sources and review details
Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.
One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
10 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.comparison.metric_implementation AUROC Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.comparison.protocol_id atom3d-task-lep-auroc Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.origin author_reported Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.protocol Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed. Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| attributes.source_locator Table 5, row(LEP AUROC), column(ENN) Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| description ATOM3D evaluation of ENN on Ligand efficacy prediction, scored with AUROC. Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: benchmark atom3d-task-lep-auroc Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: dataset atom3d-dataset-atom3d-lep Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| Relationship: model atom3d-method-enn Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| name ENN on ATOM3D LEP-AUROC: Ligand efficacy prediction Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LEP AUROC), column(ENN) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
Sources and history
Release 2026-09-17-134cd1815de8 · Record review: source checked
1 source records and release history
- ATOM3D: Tasks On Molecules in Three Dimensions · Original source · Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256
Technical metadata and extraction receipts
Stable ID: atom3d-evaluation-enn-lep-auroc
- areas
- molecular-interactions
- tasks
- Ligand efficacy prediction
- origin
- author_reported
- protocol
- Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
- comparison
- protocol id: atom3d-task-lep-auroc; metric implementation: AUROC
- missing metadata
- checkpoint revision: unreported; seeds: unreported; budget: unreported; split manifest: unextracted
- source locator
- Table 5, row(LEP AUROC), column(ENN)
Related records
- benchmark: ATOM3D LEP-AUROC: Ligand efficacy prediction
- model: ENN
- dataset: ATOM3D LEP (ATOM3D split)
- evaluation: ENN · ATOM3D LEP-AUROC · AUROC