0.154 mae
[Tsubaki et al., 2019] · ATOM3D SMP-EGAP · MAE
- Tested configuration
- [Tsubaki et al., 2019]
- Task
- ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gap
- Dataset subset
- ATOM3D SMP (ATOM3D split)
- Procedure
- Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
- Evaluation
- [Tsubaki et al., 2019] on ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gap
- Evidence
- Author-reported evaluation · source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 3, row(SMP εgap [eV]), column([Tsubaki et al., 2019])
A source-checked result verifies the numerical transcription, not every model or protocol detail. Evaluation metadata: source checked. Source checked does not mean independently reproduced.
Methods and reproduction
ATOM3D evaluation of [Tsubaki et al., 2019] on Small molecule properties, HOMO-LUMO gap, scored with MAE.
- task
- ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gap
- configuration
- [Tsubaki et al., 2019]
- dataset subset
- ATOM3D SMP (ATOM3D split)
- Split
- Not reported
- Adaptation
- Not reported
- Scoring implementation
- MAE
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 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 |
|---|---|---|
| [Tsubaki et al., 2019] on ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gap Configuration: [Tsubaki et al., 2019]Task: ATOM3D SMP-EGAP: Small molecule properties, HOMO-LUMO gapDataset subset: ATOM3D SMP (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 | ||
| 0.154 mae Unit: error · Direction: lower | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 3, row(SMP εgap [eV]), column([Tsubaki et al., 2019]) 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.
1 evidence row matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Reported result 0.154 Individual claims | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(SMP εgap [eV]), column([Tsubaki et al., 2019]) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | source checked Deterministic parse of the pinned PDF text layer, with the expected row labels asserted per table · 2026-09-18 author reported Audit detailsSource checked, not reproduced. Metrics differ by task, so no composite score across tasks is computed or implied. Field: Source artifact SHA-256: Hash scope: Exact retrieved primary paper artifact bytes. Extraction artifact SHA-256: |
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-result-tsubaki-et-al-2019-smp-egap-mae
- areas
- molecular-interactions
- tasks
- Small molecule properties, HOMO-LUMO gap
- metric
- mae
- metric direction
- lower
- unit
- error
- printed value
- 0.154
- numeric value
- 0.154
- uncertainty
- Not reported
- source locator
- Table 3, row(SMP εgap [eV]), column([Tsubaki et al., 2019])
- missing metadata
- denominator: unextracted; seeds: unreported
- review
- method: Deterministic parse of the pinned PDF text layer, with the expected row labels asserted per table; reviewer: Codex research agent; no human review claimed; date: 2026-09-18; artifact sha256: 92656c20a15311c32bed9edc7f465bb26eb30338f40324fe43bec4b1fc6a7890; retrieval url: https://arxiv.org/pdf/2012.04035v4; notes: Source checked, not reproduced. Metrics differ by task, so no composite score across tasks is computed or implied.