# Conformer Generation on GEOM-Drugs (test)

Source: [Conformer Generation on GEOM-Drugs (test)](<https://www.sota2.com/research/sota/conformer-generation-on-geom-drugs-test>)

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

Data updated: 2026-04-07T08:43:12.624Z

Evaluation of model performance on generating molecular conformers for the GEOM-Drugs test set, measured by the mean torsional decorrelation time.

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 | Conformer Generation |
| Dataset (including any stated split) | GEOM-Drugs (test) |
| Metric | Mean Torsional Decorrelation Time (ps) |
| Unit | TIME |
| Direction | Lower is better |
| Results loaded | 5 of 5 |
| 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

- [Mean Torsional Decorrelation Time (ps)](<https://www.sota2.com/research/sota/conformer-generation-on-geom-drugs-test.md?metric=Mean%20Torsional%20Decorrelation%20Time%20(ps)>): Lower is better; unit: TIME.

## Recorded results

| Method | Mean Torsional Decorrelation Time (ps) | Result date | Report paper |
| --- | --- | --- | --- |
| EGINTERPOLATOR-CASC | 5.2 | Not recorded | 69d48f767d0172140ec74255 |
| Shuffled GT | 5.2 | Not recorded | 69d48f767d0172140ec74255 |
| Shuffled Gen. | 5.2 | Not recorded | 69d48f767d0172140ec74255 |
| GT MD | 130.1 | Not recorded | 69d48f767d0172140ec74255 |
| EGINTERPOLATOR-CASC | 185.64 | Not recorded | 69d48f767d0172140ec74255 |

### EGINTERPOLATOR-CASC

Mean Torsional Decorrelation Time (ps): 5.2. Result ID: 69d4c38447f34ce924bc9c89.

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

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

Recorded evaluation configuration: {"alpha":"1","i.i.d. generations":"true"}. This record does not assert independent reproduction.

### Shuffled GT

Mean Torsional Decorrelation Time (ps): 5.2. Result ID: 69d4c38447f34ce924bc9c8a.

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

Recorded evaluation configuration: {"mode":"shuffled"}. This record does not assert independent reproduction.

### Shuffled Gen.

Mean Torsional Decorrelation Time (ps): 5.2. Result ID: 69d4c38447f34ce924bc9c8b.

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

Recorded evaluation configuration: {"mode":"shuffled"}. This record does not assert independent reproduction.

### GT MD

Mean Torsional Decorrelation Time (ps): 130.1. Result ID: 69d4c38447f34ce924bc9c87.

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

Recorded evaluation configuration: {"source":"Ground Truth"}. This record does not assert independent reproduction.

### EGINTERPOLATOR-CASC

Mean Torsional Decorrelation Time (ps): 185.64. Result ID: 69d4c38447f34ce924bc9c88.

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

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

Recorded evaluation configuration: {"Generation":"Original"}. This record does not assert independent reproduction.

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