# Pocket Design on CrossDocked 18k complexes (test)

Source: [Pocket Design on CrossDocked 18k complexes (test)](<https://www.sota2.com/research/sota/pocket-design-on-crossdocked-18k-complexes-test>)

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

Data updated: 2026-02-26T05:21:23.552Z

Evaluation of pocket design models using the CrossDocked 18k complexes test set, reporting performance metrics such as AAR, RMSD, and Vina scores.

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 | pocket design |
| Dataset (including any stated split) | CrossDocked 18k complexes (test) |
| Metric | AAR |
| Unit | PERCENT |
| Direction | Higher is better |
| Results loaded | 6 of 6 |
| 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

- [AAR](<https://www.sota2.com/research/sota/pocket-design-on-crossdocked-18k-complexes-test.md?metric=AAR>): Higher is better; unit: PERCENT.

- [RMSD](<https://www.sota2.com/research/sota/pocket-design-on-crossdocked-18k-complexes-test.md?metric=RMSD>): Lower is better; unit: SCALAR.

- [Vina Score](<https://www.sota2.com/research/sota/pocket-design-on-crossdocked-18k-complexes-test.md?metric=Vina%20Score>): Lower is better; unit: SCALAR.

## Recorded results

| Method | AAR | Result date | Report paper |
| --- | --- | --- | --- |
| FAIR | 40.17 | Not recorded | 68fa5f511e209131ce9e8fe0 |
| MEAN | 35.46 | Not recorded | 68fa5f511e209131ce9e8fe0 |
| Diffusion | 34.62 | Not recorded | 68fa5f511e209131ce9e8fe0 |
| HSRN | 31.62 | Not recorded | 68fa5f511e209131ce9e8fe0 |
| PocketOptimizer | 27.89 | Not recorded | 68fa5f511e209131ce9e8fe0 |
| DEPACT | 22.58 | Not recorded | 68fa5f511e209131ce9e8fe0 |

### FAIR

AAR: 40.17. Result ID: 698bc2f97a967eddb7712cb7.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

[Implementation](<https://github.com/zaixizhang/FAIR>)

Recorded evaluation configuration: {"approach":"deep-learning"}. This record does not assert independent reproduction.

### MEAN

AAR: 35.46. Result ID: 698bc2f97a967eddb7712cb6.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f481e209131ce9e8b6a.md>)

Recorded evaluation configuration: {"approach":"deep-learning","side-chain packing":"Rosetta"}. This record does not assert independent reproduction.

### Diffusion

AAR: 34.62. Result ID: 698bc2f97a967eddb7712cb5.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

Recorded evaluation configuration: {"approach":"deep-learning","side-chain packing":"Rosetta"}. This record does not assert independent reproduction.

### HSRN

AAR: 31.62. Result ID: 698bc2f97a967eddb7712cb4.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

Recorded evaluation configuration: {"approach":"autoregressive deep-learning"}. This record does not assert independent reproduction.

### PocketOptimizer

AAR: 27.89. Result ID: 698bc2f97a967eddb7712cb2.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

Recorded evaluation configuration: {"approach":"energy-based"}. This record does not assert independent reproduction.

### DEPACT

AAR: 22.58. Result ID: 698bc2f97a967eddb7712cb3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f511e209131ce9e8fe0.md>)

Recorded evaluation configuration: {"approach":"template-matching-based"}. This record does not assert independent reproduction.

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