# LUMO Property Prediction on QM9 (test)

Source: [LUMO Property Prediction on QM9 (test)](<https://www.sota2.com/research/sota/lumo-property-prediction-on-qm9-test>)

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

Data updated: 2026-02-26T06:00:00.201Z

Evaluation of models on predicting the Lowest Unoccupied Molecular Orbital (LUMO) energy level using the test split of the QM9 dataset, measured via Root Mean Square Error (RMSE).

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 | LUMO property prediction |
| Dataset (including any stated split) | QM9 (test) |
| Metric | RMSE |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 24 of 24 |
| 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

- [RMSE](<https://www.sota2.com/research/sota/lumo-property-prediction-on-qm9-test.md?metric=RMSE>): Lower is better; unit: SCALAR.

## Recorded results

| Method | RMSE | Result date | Report paper |
| --- | --- | --- | --- |
| ESA | 0.146 | Not recorded | 68fa792f1e209131cea7c78a |
| Graphormer | 0.147 | Not recorded | 68fa792f1e209131cea7c78a |
| ESA | 0.15 | Not recorded | 68fa792f1e209131cea7c78a |
| Graphormer | 0.151 | Not recorded | 68fa792f1e209131cea7c78a |
| GAT | 0.153 | Not recorded | 68fa792f1e209131cea7c78a |
| GATV2 | 0.153 | Not recorded | 68fa792f1e209131cea7c78a |
| PNA | 0.153 | Not recorded | 68fa792f1e209131cea7c78a |
| GAT | 0.156 | Not recorded | 68fa792f1e209131cea7c78a |
| PNA | 0.156 | Not recorded | 68fa792f1e209131cea7c78a |
| TokenGT | 0.156 | Not recorded | 68fa792f1e209131cea7c78a |
| GATV2 | 0.157 | Not recorded | 68fa792f1e209131cea7c78a |
| DropGIN | 0.157 | Not recorded | 68fa792f1e209131cea7c78a |
| DropGIN | 0.159 | Not recorded | 68fa792f1e209131cea7c78a |
| TokenGT | 0.165 | Not recorded | 68fa792f1e209131cea7c78a |
| GraphGPS | 0.167 | Not recorded | 68fa792f1e209131cea7c78a |
| GraphGPS | 0.169 | Not recorded | 68fa792f1e209131cea7c78a |
| PNA | 0.174 | Not recorded | 68fa792f1e209131cea7c78a |
| ESA | 0.174 | Not recorded | 68fa792f1e209131cea7c78a |
| GATV2 | 0.178 | Not recorded | 68fa792f1e209131cea7c78a |
| GraphGPS | 0.178 | Not recorded | 68fa792f1e209131cea7c78a |
| DropGIN | 0.18 | Not recorded | 68fa792f1e209131cea7c78a |
| GAT | 0.181 | Not recorded | 68fa792f1e209131cea7c78a |
| Graphormer | 0.19 | Not recorded | 68fa792f1e209131cea7c78a |
| TokenGT | 0.204 | Not recorded | 68fa792f1e209131cea7c78a |

### ESA

RMSE: 0.146. Result ID: 6995ceae3badfaffe6d364d9.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Implementation](<https://github.com/davidbuterez/edge-set-attention>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### Graphormer

RMSE: 0.147. Result ID: 6995ceae3badfaffe6d364d6.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6b4d1e209131cea2d700.md>)

[Implementation](<https://github.com/Microsoft/Graphormer>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### ESA

RMSE: 0.15. Result ID: 6995ceae3badfaffe6d364d1.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Implementation](<https://github.com/davidbuterez/edge-set-attention>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### Graphormer

RMSE: 0.151. Result ID: 6995ceae3badfaffe6d364ce.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6b4d1e209131cea2d700.md>)

[Implementation](<https://github.com/Microsoft/Graphormer>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### GAT

RMSE: 0.153. Result ID: 6995ceae3badfaffe6d364d3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa640b1e209131cea0244e.md>)

[Implementation](<https://github.com/PetarV-/GAT>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### GATV2

RMSE: 0.153. Result ID: 6995ceae3badfaffe6d364d4.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6bba1e209131cea2feef.md>)

[Implementation](<https://github.com/tech-srl/how_attentive_are_gats>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### PNA

RMSE: 0.153. Result ID: 6995ceae3badfaffe6d364d5.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa696e1e209131cea2200e.md>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### GAT

RMSE: 0.156. Result ID: 6995ceae3badfaffe6d364cb.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa640b1e209131cea0244e.md>)

[Implementation](<https://github.com/PetarV-/GAT>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### PNA

RMSE: 0.156. Result ID: 6995ceae3badfaffe6d364cd.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa696e1e209131cea2200e.md>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### TokenGT

RMSE: 0.156. Result ID: 6995ceae3badfaffe6d364d7.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6db71e209131cea3b7b7.md>)

[Implementation](<https://github.com/jw9730/tokengt>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### GATV2

RMSE: 0.157. Result ID: 6995ceae3badfaffe6d364cc.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6bba1e209131cea2feef.md>)

[Implementation](<https://github.com/tech-srl/how_attentive_are_gats>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### DropGIN

RMSE: 0.157. Result ID: 6995ceae3badfaffe6d364d2.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa697d1e209131cea22685.md>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### DropGIN

RMSE: 0.159. Result ID: 6995ceae3badfaffe6d364ca.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa697d1e209131cea22685.md>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### TokenGT

RMSE: 0.165. Result ID: 6995ceae3badfaffe6d364cf.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6db71e209131cea3b7b7.md>)

[Implementation](<https://github.com/jw9730/tokengt>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### GraphGPS

RMSE: 0.167. Result ID: 6995ceae3badfaffe6d364d0.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa714c1e209131cea508ac.md>)

[Implementation](<https://github.com/vijaydwivedi75/lrgb>)

Recorded evaluation configuration: {"Strategy":"Inductive"}. This record does not assert independent reproduction.

### GraphGPS

RMSE: 0.169. Result ID: 6995ceae3badfaffe6d364d8.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa714c1e209131cea508ac.md>)

[Implementation](<https://github.com/vijaydwivedi75/lrgb>)

Recorded evaluation configuration: {"Strategy":"Transductive"}. This record does not assert independent reproduction.

### PNA

RMSE: 0.174. Result ID: 6995ceae3badfaffe6d364c5.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa696e1e209131cea2200e.md>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### ESA

RMSE: 0.174. Result ID: 6995ceae3badfaffe6d364c9.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Implementation](<https://github.com/davidbuterez/edge-set-attention>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### GATV2

RMSE: 0.178. Result ID: 6995ceae3badfaffe6d364c4.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6bba1e209131cea2feef.md>)

[Implementation](<https://github.com/tech-srl/how_attentive_are_gats>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### GraphGPS

RMSE: 0.178. Result ID: 6995ceae3badfaffe6d364c8.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa714c1e209131cea508ac.md>)

[Implementation](<https://github.com/vijaydwivedi75/lrgb>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### DropGIN

RMSE: 0.18. Result ID: 6995ceae3badfaffe6d364c2.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa697d1e209131cea22685.md>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### GAT

RMSE: 0.181. Result ID: 6995ceae3badfaffe6d364c3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa640b1e209131cea0244e.md>)

[Implementation](<https://github.com/PetarV-/GAT>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### Graphormer

RMSE: 0.19. Result ID: 6995ceae3badfaffe6d364c6.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6b4d1e209131cea2d700.md>)

[Implementation](<https://github.com/Microsoft/Graphormer>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

### TokenGT

RMSE: 0.204. Result ID: 6995ceae3badfaffe6d364c7.

[Reporting paper](<https://www.sota2.com/research/paper/68fa792f1e209131cea7c78a.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6db71e209131cea3b7b7.md>)

[Implementation](<https://github.com/jw9730/tokengt>)

Recorded evaluation configuration: {"Strategy":"GW (no transfer learning)"}. This record does not assert independent reproduction.

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