ATOM3D evaluation of ENN on Small molecule properties, HOMO-LUMO gap, scored with MAE.
1 evaluation · 1 result. Different protocols are not a single leaderboard.
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| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Method: ENN | Task: ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gap Dataset subset: ATOM3D SMP (ATOM3D split) | 0.095 MAE unit-unreported · lower Uncertainty: Not yet extracted Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceENN on ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gap 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 3, row(SMP εgap [eV]), column(ENN) |
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Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
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10 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Comparison: metric implementation MAE Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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. |
| Comparison: protocol id atom3d-task-smp-egap Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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. |
| Origin author_reported Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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. |
| 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 3, row(SMP εgap [eV]), 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. |
| Source location Table 3, row(SMP εgap [eV]), column(ENN) Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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 Small molecule properties, HOMO-LUMO gap, scored with MAE. Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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: assessment atom3d-task-smp-egap Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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: data atom3d-dataset-atom3d-smp Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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: system atom3d-method-enn Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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 SMP-EGAP: Small molecule properties, HOMO-LUMO gap Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), 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. |
Release 2026-11-02-a7f03c9e55a5 · Record review: source checked
Stable ID: atom3d-evaluation-enn-smp-egap