# Molecular Energy Prediction on QM9 50000 samples

Source: [Molecular Energy Prediction on QM9 50000 samples](<https://www.sota2.com/research/sota/molecular-energy-prediction-on-qm9-50000-samples>)

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

Data updated: 2026-02-26T05:48:52.393Z

Evaluation of models on predicting molecular energy properties using the 50,000 sample subset of the QM9 dataset, measured using Mean Absolute Error (MAE).

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 | Molecular energy prediction |
| Dataset (including any stated split) | QM9 50000 samples |
| 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/molecular-energy-prediction-on-qm9-50000-samples.md?metric=MAE>): Lower is better; unit: SCALAR.

## Recorded results

| Method | MAE | Result date | Report paper |
| --- | --- | --- | --- |
| HIP-NN | 0.354 | Not recorded | 68fa37711e209131ce8b26e6 |
| MTM | 0.41 | Not recorded | 68fa37711e209131ce8b26e6 |
| SchNet | 0.49 | Not recorded | 68fa37711e209131ce8b26e6 |

### HIP-NN

MAE: 0.354. Result ID: 698b970a7a967eddb76fd96c.

[Reporting paper](<https://www.sota2.com/research/paper/68fa37711e209131ce8b26e6.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa37711e209131ce8b26e6.md>)

Recorded evaluation configuration: {"N\_train + N\_validate":"50000"}. This record does not assert independent reproduction.

### MTM

MAE: 0.41. Result ID: 698b970a7a967eddb76fd96d.

[Reporting paper](<https://www.sota2.com/research/paper/68fa37711e209131ce8b26e6.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa37a41e209131ce8b4012.md>)

Recorded evaluation configuration: {"N\_train + N\_validate":"50000"}. This record does not assert independent reproduction.

### SchNet

MAE: 0.49. Result ID: 698b970a7a967eddb76fd96e.

[Reporting paper](<https://www.sota2.com/research/paper/68fa37711e209131ce8b26e6.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa36ec1e209131ce8ae0cf.md>)

Recorded evaluation configuration: {"N\_train + N\_validate":"50000"}. This record does not assert independent reproduction.

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