# Force Prediction on MD17 ethanol Revised

Source: [Force Prediction on MD17 ethanol Revised](<https://www.sota2.com/research/sota/force-prediction-on-md17-ethanol-revised>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-02-26T05:49:05.428Z

Evaluation of model performance on predicting the atomic forces for the Ethanol molecule using the revised MD17 dataset.

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Force Prediction |
| Dataset (including any stated split) | MD17 ethanol Revised |
| Metric | MAE |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 3 of 3 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [MAE](<https://www.sota2.com/research/sota/force-prediction-on-md17-ethanol-revised.md?metric=MAE>): Lower is better; unit: SCALAR.

## Recorded results

| Method | MAE | Result date | Report paper |
| --- | --- | --- | --- |
| 2F-Dis. | 0.0379 | Not recorded | 68fa754f1e209131cea6703d |
| MACE | 0.0484 | Not recorded | 68fa754f1e209131cea6703d |
| Allegro | 0.0484 | Not recorded | 68fa754f1e209131cea6703d |

### 2F-Dis.

MAE: 0.0379. Result ID: 6993879a3a6c314849169b97.

[Reporting paper](<https://www.sota2.com/research/paper/68fa754f1e209131cea6703d.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa754f1e209131cea6703d.md>)

[Implementation](<https://github.com/GraphPKU/DisGNN>)

Recorded evaluation configuration: {"k":2}. This record does not assert independent reproduction.

### MACE

MAE: 0.0484. Result ID: 6993879a3a6c314849169b95.

[Reporting paper](<https://www.sota2.com/research/paper/68fa754f1e209131cea6703d.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa43761e209131ce90a233.md>)

[Implementation](<https://github.com/ACEsuit/mace>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### Allegro

MAE: 0.0484. Result ID: 6993879a3a6c314849169b96.

[Reporting paper](<https://www.sota2.com/research/paper/68fa754f1e209131cea6703d.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa41811e209131ce8fb6e8.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

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