The split of ATOM3D LEP that ATOM3D evaluated on. The upstream dataset release is not catalogued here, so no claim is made that this matches its original splits.
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4 evaluations · 4 results. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Method: 3DCNN | Task: ATOM3D LEP-AUROC: Ligand efficacy prediction Dataset subset: ATOM3D LEP (ATOM3D split) | 0.589 auroc fraction · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and source3DCNN on ATOM3D LEP-AUROC: Ligand efficacy prediction Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed. Aggregation: Not reported ATOM3D: Tasks On Molecules in Three Dimensions · Table 5, row(LEP AUROC), column(3DCNN) |
| Method: ENN | Task: ATOM3D LEP-AUROC: Ligand efficacy prediction Dataset subset: ATOM3D LEP (ATOM3D split) | 0.663 auroc fraction · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceENN on ATOM3D LEP-AUROC: Ligand efficacy prediction Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed. Aggregation: Not reported ATOM3D: Tasks On Molecules in Three Dimensions · Table 5, row(LEP AUROC), column(ENN) |
| Method: GNN | Task: ATOM3D LEP-AUROC: Ligand efficacy prediction Dataset subset: ATOM3D LEP (ATOM3D split) | 0.681 auroc fraction · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceGNN on ATOM3D LEP-AUROC: Ligand efficacy prediction Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed. Aggregation: Not reported ATOM3D: Tasks On Molecules in Three Dimensions · Table 5, row(LEP AUROC), column(GNN) |
| Configuration: DeepDTA (ATOM3D baseline) (cited as [Öztürk et al., 2018]) | Task: ATOM3D LEP-AUROC: Ligand efficacy prediction Dataset subset: ATOM3D LEP (ATOM3D split) | 0.696 auroc fraction · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceDeepDTA (ATOM3D baseline) on ATOM3D LEP-AUROC: Ligand efficacy prediction Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed. Aggregation: Not reported ATOM3D: Tasks On Molecules in Three Dimensions · Table 5, row(LEP AUROC), column([Öztürk et al., 2018]) |
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2 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| description The split of ATOM3D LEP that ATOM3D evaluated on. The upstream dataset release is not catalogued here, so no claim is made that this matches its original splits. Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions No field-specific location recorded Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
| name ATOM3D LEP (ATOM3D split) Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions No field-specific location recorded Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. |
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Release 2026-09-29-06401fd5b220 · Record review: source checked
Stable ID: atom3d-dataset-atom3d-lep