ATOM3D PSR (ATOM3D split)
The split of ATOM3D PSR that ATOM3D evaluated on. The upstream dataset release is not catalogued here, so no claim is made that this matches its original splits.
Subset and evaluation context
This record describes a particular subset or cohort used in an evaluation. Its results do not describe the full dataset.
Evaluation results
Release 2026-09-17-134cd1815de8 · 6 evaluations · 6 metric rows. 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 |
|---|---|---|
| 3DCNN on ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global Spearman Method: 3DCNNTask: ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global SpearmanDataset subset: ATOM3D PSR (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 | ||
| 0.789 spearman_r Unit: correlation · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 6, row(glob. RS), column(3DCNN) Source checking is not independent reproduction. |
| 3DCNN on ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a target Method: 3DCNNTask: ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a targetDataset subset: ATOM3D PSR (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 | ||
| 0.431 spearman_r Unit: correlation · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 6, row(PSR mean RS), column(3DCNN) Source checking is not independent reproduction. |
| GNN on ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global Spearman Method: GNNTask: ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global SpearmanDataset subset: ATOM3D PSR (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 | ||
| 0.750 spearman_r Unit: correlation · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 6, row(glob. RS), column(GNN) Source checking is not independent reproduction. |
| GNN on ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a target Method: GNNTask: ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a targetDataset subset: ATOM3D PSR (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 | ||
| 0.411 spearman_r Unit: correlation · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 6, row(PSR mean RS), column(GNN) Source checking is not independent reproduction. |
| [Pagès et al., 2019] on ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global Spearman Configuration: [Pagès et al., 2019]Task: ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global SpearmanDataset subset: ATOM3D PSR (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 | ||
| 0.796 spearman_r Unit: correlation · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 6, row(glob. RS), column([Pagès et al., 2019]) Source checking is not independent reproduction. |
| [Pagès et al., 2019] on ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a target Configuration: [Pagès et al., 2019]Task: ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a targetDataset subset: ATOM3D PSR (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 | ||
| 0.432 spearman_r Unit: correlation · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 6, row(PSR mean RS), column([Pagès 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.
2 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| description The split of ATOM3D PSR 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 PSR (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. |
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-dataset-atom3d-psr
- areas
- molecular-interactions
- missing metadata
- version: unreported; url: unextracted
Related records
- dataset: 3DCNN on ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global Spearman
- dataset: 3DCNN on ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a target
- dataset: GNN on ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global Spearman
- dataset: GNN on ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a target
- dataset: [Pagès et al., 2019] on ATOM3D PSR-GLOBAL-RS: Protein structure ranking, global Spearman
- dataset: [Pagès et al., 2019] on ATOM3D PSR-MEAN-RS: Protein structure ranking, mean Spearman within a target