[Liu et al., 2019] on ATOM3D SMP-MU: Small molecule properties, dipole moment
ATOM3D evaluation of [Liu et al., 2019] on Small molecule properties, dipole moment, scored with MAE.
Methods and reproduction
ATOM3D evaluation of [Liu et al., 2019] on Small molecule properties, dipole moment, scored with MAE.
- task
- ATOM3D SMP-MU: Small molecule properties, dipole moment
- configuration
- [Liu 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 procedure
Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
- Configuration
- [Liu et al., 2019]
- Task
- ATOM3D SMP-MU: Small molecule properties, dipole moment
- Dataset subset
- ATOM3D SMP (ATOM3D split)
- origin
- Author-reported evaluation
- configuration
- Not reported
- protocol id
- atom3d-task-smp-mu
- metric implementation
- MAE
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 |
|---|---|---|
| [Liu et al., 2019] on ATOM3D SMP-MU: Small molecule properties, dipole moment Configuration: [Liu et al., 2019]Task: ATOM3D SMP-MU: Small molecule properties, dipole momentDataset 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 | ||
| 0.520 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(µ [D]), column([Liu 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.
10 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.comparison.metric_implementation MAE Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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-smp-mu Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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 3, row(µ [D]), column([Liu et al., 2019]) 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 3, row(µ [D]), column([Liu et al., 2019]) 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 3, row(µ [D]), column([Liu et al., 2019]) Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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 [Liu et al., 2019] on Small molecule properties, dipole moment, scored with MAE. Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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-smp-mu Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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-smp Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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-liu-et-al-2019 Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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 [Liu et al., 2019] on ATOM3D SMP-MU: Small molecule properties, dipole moment Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 3, row(µ [D]), column([Liu et al., 2019]) 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-liu-et-al-2019-smp-mu
- areas
- molecular-interactions
- tasks
- Small molecule properties, dipole moment
- 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-smp-mu; metric implementation: MAE
- missing metadata
- checkpoint revision: unreported; seeds: unreported; budget: unreported; split manifest: unextracted
- source locator
- Table 3, row(µ [D]), column([Liu et al., 2019])
Related records
- benchmark: ATOM3D SMP-MU: Small molecule properties, dipole moment
- model: [Liu et al., 2019]
- dataset: ATOM3D SMP (ATOM3D split)
- evaluation: [Liu et al., 2019] · ATOM3D SMP-MU · MAE