[Karimi et al., 2019] on ATOM3D LBA-RMSE: Ligand binding affinity, root mean squared error
ATOM3D evaluation of [Karimi et al., 2019] on Ligand binding affinity, root mean squared error, scored with RMSE.
Methods and reproduction
ATOM3D evaluation of [Karimi et al., 2019] on Ligand binding affinity, root mean squared error, scored with RMSE.
- task
- ATOM3D LBA-RMSE: Ligand binding affinity, root mean squared error
- configuration
- [Karimi et al., 2019]
- dataset subset
- ATOM3D LBA (ATOM3D split)
- Split
- Not reported
- Adaptation
- Not reported
- Scoring implementation
- RMSE
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
- [Karimi et al., 2019]
- Task
- ATOM3D LBA-RMSE: Ligand binding affinity, root mean squared error
- Dataset subset
- ATOM3D LBA (ATOM3D split)
- origin
- Author-reported evaluation
- configuration
- Not reported
- protocol id
- atom3d-task-lba-rmse
- metric implementation
- RMSE
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 |
|---|---|---|
| [Karimi et al., 2019] on ATOM3D LBA-RMSE: Ligand binding affinity, root mean squared error Configuration: [Karimi et al., 2019]Task: ATOM3D LBA-RMSE: Ligand binding affinity, root mean squared errorDataset subset: ATOM3D LBA (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 | ||
| 1.893 rmse Unit: error · Direction: lower | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 5, row(LBA RMSE), column([Karimi 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 RMSE Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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-lba-rmse Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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 5, row(LBA RMSE), column([Karimi 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 5, row(LBA RMSE), column([Karimi 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 5, row(LBA RMSE), column([Karimi et al., 2019]) Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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 [Karimi et al., 2019] on Ligand binding affinity, root mean squared error, scored with RMSE. Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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-lba-rmse Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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-lba Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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-karimi-et-al-2019 Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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 [Karimi et al., 2019] on ATOM3D LBA-RMSE: Ligand binding affinity, root mean squared error Context-only references | ATOM3D: Tasks On Molecules in Three Dimensions Table 5, row(LBA RMSE), column([Karimi 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-karimi-et-al-2019-lba-rmse
- areas
- molecular-interactions
- tasks
- Ligand binding affinity, root mean squared error
- 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-lba-rmse; metric implementation: RMSE
- missing metadata
- checkpoint revision: unreported; seeds: unreported; budget: unreported; split manifest: unextracted
- source locator
- Table 5, row(LBA RMSE), column([Karimi et al., 2019])