# Energy Profile Prediction on GEOM-Drugs (test)

Source: [Energy Profile Prediction on GEOM-Drugs (test)](<https://www.sota2.com/research/sota/energy-profile-prediction-on-geom-drugs-test>)

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

Data updated: 2026-04-07T08:43:12.524Z

Evaluation of models on the test split of the GEOM-Drugs dataset for predicting the molecular energy profile, typically measured using metrics like W1 distance.

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 | Energy Profile Prediction |
| Dataset (including any stated split) | GEOM-Drugs (test) |
| Metric | W1 Distance |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 10 of 10 |
| 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

- [W1 Distance](<https://www.sota2.com/research/sota/energy-profile-prediction-on-geom-drugs-test.md?metric=W1%20Distance>): Lower is better; unit: SCALAR.

## Recorded results

| Method | W1 Distance | Result date | Report paper |
| --- | --- | --- | --- |
| EGINTERPOLATOR-CASC | 0.2454 | Not recorded | 69d48f767d0172140ec74255 |
| EGINTERPOLATOR-CASC | 0.3654 | Not recorded | 69d48f767d0172140ec74255 |
| EGINTERPOLATOR-CASC | 0.3656 | Not recorded | 69d48f767d0172140ec74255 |
| EGINTERPOLATOR-CASC | 0.3702 | Not recorded | 69d48f767d0172140ec74255 |
| EGINTERPOLATOR-CASC | 0.7728 | Not recorded | 69d48f767d0172140ec74255 |
| GeoTDM | 11.2398 | Not recorded | 69d48f767d0172140ec74255 |
| GeoTDM | 12.7664 | Not recorded | 69d48f767d0172140ec74255 |
| GeoTDM | 12.8999 | Not recorded | 69d48f767d0172140ec74255 |
| GeoTDM | 13.027 | Not recorded | 69d48f767d0172140ec74255 |
| GeoTDM | 13.1235 | Not recorded | 69d48f767d0172140ec74255 |

### EGINTERPOLATOR-CASC

W1 Distance: 0.2454. Result ID: 69d4c38447f34ce924bc9c7a.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

Recorded evaluation configuration: {"Block":"1"}. This record does not assert independent reproduction.

### EGINTERPOLATOR-CASC

W1 Distance: 0.3654. Result ID: 69d4c38447f34ce924bc9c7c.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

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

### EGINTERPOLATOR-CASC

W1 Distance: 0.3656. Result ID: 69d4c38447f34ce924bc9c7e.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

Recorded evaluation configuration: {"Block":"3"}. This record does not assert independent reproduction.

### EGINTERPOLATOR-CASC

W1 Distance: 0.3702. Result ID: 69d4c38447f34ce924bc9c80.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

Recorded evaluation configuration: {"Block":"4"}. This record does not assert independent reproduction.

### EGINTERPOLATOR-CASC

W1 Distance: 0.7728. Result ID: 69d4c38447f34ce924bc9c78.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

Recorded evaluation configuration: {"Scope":"Overall"}. This record does not assert independent reproduction.

### GeoTDM

W1 Distance: 11.2398. Result ID: 69d4c38447f34ce924bc9c7b.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa75431e209131cea66e0a.md>)

Recorded evaluation configuration: {"Block":"1"}. This record does not assert independent reproduction.

### GeoTDM

W1 Distance: 12.7664. Result ID: 69d4c38447f34ce924bc9c79.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa75431e209131cea66e0a.md>)

Recorded evaluation configuration: {"Scope":"Overall"}. This record does not assert independent reproduction.

### GeoTDM

W1 Distance: 12.8999. Result ID: 69d4c38447f34ce924bc9c7d.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa75431e209131cea66e0a.md>)

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

### GeoTDM

W1 Distance: 13.027. Result ID: 69d4c38447f34ce924bc9c7f.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa75431e209131cea66e0a.md>)

Recorded evaluation configuration: {"Block":"3"}. This record does not assert independent reproduction.

### GeoTDM

W1 Distance: 13.1235. Result ID: 69d4c38447f34ce924bc9c81.

[Reporting paper](<https://www.sota2.com/research/paper/69d48f767d0172140ec74255.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa75431e209131cea66e0a.md>)

Recorded evaluation configuration: {"Block":"4"}. This record does not assert independent reproduction.

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