ATOM3D MSP: Mutation stability prediction
Mutation stability prediction. Scored with AUROC on ATOM3D MSP. Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
Overview
Mutation stability prediction. Scored with AUROC on ATOM3D MSP. Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.
Evaluation design
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Benchmarks
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Recorded evaluations
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Run instructions
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Published comparisons
Explore the results reported under one evaluation protocol. Each figure keeps its source, dataset and metric together; it is not a ranking across studies. The pooled view gathers every source table that reports the same metric and names what it does not hold constant.
ATOM3D MSP: Mutation stability prediction
auroc (fraction) · Higher values are better for this metric.
Every method ATOM3D reports on Mutation stability prediction, scored with AUROC on ATOM3D MSP.
- 3DCNN · Method · Author-reported evaluation0.574
- GNN · Method · Author-reported evaluation0.609
- ENN · Method · Author-reported evaluation0.574
- [Rao et al., 2019] · Configuration · Author-reported evaluation0.554
Source order is preserved. Plotted marks show point estimates; uncertainty, where reported, is retained in the printed values and table. Differences do not establish statistical significance.
ATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC)Values, uncertainty and evidence
| Tested entity | Printed value | Uncertainty | Evidence |
|---|---|---|---|
| 3DCNN · Method | 0.574 fraction | Not reported | Author-reported evaluation · source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column(3DCNN) |
| GNN · Method | 0.609 fraction | Not reported | Author-reported evaluation · source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column(GNN) |
| ENN · Method | 0.574 fraction | Not reported | Author-reported evaluation · source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column(ENN) |
| [Rao et al., 2019] · Configuration | 0.554 fraction | Not reported | Author-reported evaluation · source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column([Rao et al., 2019]) |
Scope and limitations
- Author-reported numbers, source checked but not independently reproduced.
- MAE and RMSE are errors, better when lower. The other metrics are better when higher.
- Comparison methods are named by the citation the table prints; the paper's text says which method each is.
- The paper marks some runs with an asterisk to say their training data differed, though the splitting criteria were the same.
Source transcription and grouping reviewed by automated source review on 2026-09-18. These experiments were not independently reproduced by rewire.
Tested entities and results
Release 2026-09-17-134cd1815de8 · 4 evaluations · 4 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 MSP: Mutation stability prediction Method: 3DCNNTask: ATOM3D MSP: Mutation stability predictionDataset subset: ATOM3D MSP (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 | ||
| 0.574 auroc Unit: fraction · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column(3DCNN) Source checking is not independent reproduction. |
| ENN on ATOM3D MSP: Mutation stability prediction 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 | ||
| 0.574 auroc Unit: fraction · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column(ENN) Source checking is not independent reproduction. |
| GNN on ATOM3D MSP: Mutation stability prediction 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 | ||
| 0.609 auroc Unit: fraction · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column(GNN) Source checking is not independent reproduction. |
| [Rao et al., 2019] on ATOM3D MSP: Mutation stability prediction Configuration: [Rao et al., 2019]Task: ATOM3D MSP: Mutation stability predictionDataset subset: ATOM3D MSP (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 | ||
| 0.554 auroc Unit: fraction · Direction: higher | Uncertainty: Not reported Scored: Not reported · Eligible: Not reported | source checkedATOM3D: Tasks On Molecules in Three Dimensions · Table 4, row(MSP AUROC), column([Rao 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 |
|---|---|---|
| Relationship: part of discovery-benchmark-atom3d Individual claims | ATOM3D: Tasks On Molecules in Three Dimensions Table 4, row(MSP AUROC) Version: Primary full-text snapshot retrieved 2026-09-17; exact bytes pinned by SHA-256 | source checked automated source review · 2026-09-18 Audit detailsPrimary-source transcription with no human sign-off and no independent reproduction. Field: Claim: atom3d-association-msp 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-task-msp
- areas
- molecular-interactions
- tasks
- Mutation stability prediction
- metric
- AUROC
- metric direction
- higher
- dataset
- ATOM3D MSP
- protocol
- Trained and scored under the ATOM3D split for this task. Asterisks in the paper mark a run whose training data differed.
- source locator
- Table 4, row(MSP AUROC)
- comparison panels
- id: atom3d-panel-msp; title: ATOM3D MSP: Mutation stability prediction; protocol id: atom3d-task-msp; dataset id: atom3d-dataset-atom3d-msp; metric: auroc; unit: fraction; direction: higher; result ids: atom3d-result-3dcnn-msp-auroc; atom3d-result-gnn-msp-auroc; atom3d-result-enn-msp-auroc; atom3d-result-rao-et-al-2019-msp-auroc; source ids: evidence-expansion-atom3d-92656c20; source locator: Table 4, row(MSP AUROC); context: Every method ATOM3D reports on Mutation stability prediction, scored with AUROC on ATOM3D MSP.; caveats: Author-reported numbers, source checked but not independently reproduced.; MAE and RMSE are errors, better when lower. The other metrics are better when higher.; Comparison methods are named by the citation the table prints; the paper's text says which method each is.; The paper marks some runs with an asterisk to say their training data differed, though the splitting criteria were the same.; review: method: automated_source_review; date: 2026-09-18
Related records
- part of: ATOM3D
- subject: ATOM3D MSP: part of discovery-benchmark-atom3d
- benchmark: 3DCNN on ATOM3D MSP: Mutation stability prediction
- benchmark: ENN on ATOM3D MSP: Mutation stability prediction
- benchmark: GNN on ATOM3D MSP: Mutation stability prediction
- benchmark: [Rao et al., 2019] on ATOM3D MSP: Mutation stability prediction