# Molecular Generation on braf (top-hit 5% docking score)

Source: [Molecular Generation on braf (top-hit 5% docking score)](<https://www.sota2.com/research/sota/molecular-generation-on-braf-top-hit-5-percent-docking-score>)

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

Data updated: 2026-04-03T08:08:31.499Z

Evaluation of molecular generation performance on the braf dataset, specifically measured by the top-hit 5% docking score (kcal/mol).

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 Generation |
| Dataset (including any stated split) | braf |
| Metric | Top-Hit 5% Docking Score (kcal/mol) |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 28 of 28 |
| 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

- [Top-Hit 5% Docking Score (kcal/mol)](<https://www.sota2.com/research/sota/molecular-generation-on-braf-top-hit-5-percent-docking-score.md?metric=Top-Hit%205%25%20Docking%20Score%20(kcal%2Fmol)>): Lower is better; unit: SCALAR.

## Recorded results

| Method | Top-Hit 5% Docking Score (kcal/mol) | Result date | Report paper |
| --- | --- | --- | --- |
| SoftMol | -13.43 | Not recorded | 697c3b71a8b01e76cc8da770 |
| SoftMol | -13.252 | Not recorded | 697c3b71a8b01e76cc8da770 |
| f-RAG | -12.39 | Not recorded | 697c3b71a8b01e76cc8da770 |
| GEAM | -12.342 | Not recorded | 697c3b71a8b01e76cc8da770 |
| ChemBFN | -12.061 | Not recorded | 68fa494e1e209131ce9361cd |
| ChemBFN | -12.043 | Not recorded | 68fa494e1e209131ce9361cd |
| GenMol | -11.394 | Not recorded | 697c3b71a8b01e76cc8da770 |
| MOOD-S++ | -11.143 | Not recorded | 69cf49810636e5bf4afcda09 |
| MOOD | -11.063 | Not recorded | 697c3b71a8b01e76cc8da770 |
| MOOD | -11.063 | Not recorded | 68fa494e1e209131ce9361cd |
| MOOD | -11.063 | Not recorded | 69cf49810636e5bf4afcda09 |
| Graph-GA | -10.789 | Not recorded | 697c3b71a8b01e76cc8da770 |
| FREED | -10.561 | Not recorded | 697c3b71a8b01e76cc8da770 |
| FREED | -10.325 | Not recorded | 68fa494e1e209131ce9361cd |
| PS-VAE | -9.637 | Not recorded | 697c3b71a8b01e76cc8da770 |
| MARS | -9.569 | Not recorded | 697c3b71a8b01e76cc8da770 |
| GA+D | -9.371 | Not recorded | 697c3b71a8b01e76cc8da770 |
| GDSS | -9.224 | Not recorded | 68fa494e1e209131ce9361cd |
| JTVAE | -9.079 | Not recorded | 697c3b71a8b01e76cc8da770 |
| GEGL | -9.073 | Not recorded | 697c3b71a8b01e76cc8da770 |
| HierVAE | -8.978 | Not recorded | 697c3b71a8b01e76cc8da770 |
| HierVAE | -8.978 | Not recorded | 68fa494e1e209131ce9361cd |
| RetMol | -8.811 | Not recorded | 697c3b71a8b01e76cc8da770 |
| Genetic GFN | -8.719 | Not recorded | 697c3b71a8b01e76cc8da770 |
| REINVENT | -8.392 | Not recorded | 697c3b71a8b01e76cc8da770 |
| REINVENT | -8.392 | Not recorded | 68fa494e1e209131ce9361cd |
| MORLD | -8.04 | Not recorded | 697c3b71a8b01e76cc8da770 |
| MORLD | -8.04 | Not recorded | 68fa494e1e209131ce9361cd |

### SoftMol

Top-Hit 5% Docking Score (kcal/mol): -13.43. Result ID: 6998f77e5698665ec45c9b46.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

Recorded evaluation configuration: {"unconstrained":true}. This record does not assert independent reproduction.

### SoftMol

Top-Hit 5% Docking Score (kcal/mol): -13.252. Result ID: 6998f77e5698665ec45c9b45.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

Recorded evaluation configuration: {"unconstrained":false}. This record does not assert independent reproduction.

### f-RAG

Top-Hit 5% Docking Score (kcal/mol): -12.39. Result ID: 6998f77e5698665ec45c9b43.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa75be1e209131cea69a42.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### GEAM

Top-Hit 5% Docking Score (kcal/mol): -12.342. Result ID: 6998f77e5698665ec45c9b42.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa736b1e209131cea5c644.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### ChemBFN

Top-Hit 5% Docking Score (kcal/mol): -12.061. Result ID: 699a89e85698665ec4140356.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

Recorded evaluation configuration: {"Strategy":"strategy 4","Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### ChemBFN

Top-Hit 5% Docking Score (kcal/mol): -12.043. Result ID: 699a89e85698665ec4140355.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

Recorded evaluation configuration: {"Strategy":"strategy 3","Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### GenMol

Top-Hit 5% Docking Score (kcal/mol): -11.394. Result ID: 6998f77e5698665ec45c9b44.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa7a241e209131cea81483.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### MOOD-S++

Top-Hit 5% Docking Score (kcal/mol): -11.143. Result ID: 69cf756747f34ce924b92f7c.

[Reporting paper](<https://www.sota2.com/research/paper/69cf49810636e5bf4afcda09.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69cf49810636e5bf4afcda09.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### MOOD

Top-Hit 5% Docking Score (kcal/mol): -11.063. Result ID: 6998f77e5698665ec45c9b3f.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa44741e209131ce911457.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### MOOD

Top-Hit 5% Docking Score (kcal/mol): -11.063. Result ID: 699a89e85698665ec4140354.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa44741e209131ce911457.md>)

Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### MOOD

Top-Hit 5% Docking Score (kcal/mol): -11.063. Result ID: 69cf756747f34ce924b92f7b.

[Reporting paper](<https://www.sota2.com/research/paper/69cf49810636e5bf4afcda09.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa44741e209131ce911457.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### Graph-GA

Top-Hit 5% Docking Score (kcal/mol): -10.789. Result ID: 6998f77e5698665ec45c9b38.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### FREED

Top-Hit 5% Docking Score (kcal/mol): -10.561. Result ID: 6998f77e5698665ec45c9b3c.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f221e209131ce9e7cd3.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### FREED

Top-Hit 5% Docking Score (kcal/mol): -10.325. Result ID: 699a89e85698665ec4140352.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f221e209131ce9e7cd3.md>)

Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### PS-VAE

Top-Hit 5% Docking Score (kcal/mol): -9.637. Result ID: 6998f77e5698665ec45c9b3e.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f351e209131ce9e83c3.md>)

[Implementation](<https://github.com/THUNLP-MT/PS-VAE>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### MARS

Top-Hit 5% Docking Score (kcal/mol): -9.569. Result ID: 6998f77e5698665ec45c9b3d.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f191e209131ce9e7868.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### GA+D

Top-Hit 5% Docking Score (kcal/mol): -9.371. Result ID: 6998f77e5698665ec45c9b37.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa3b4e1e209131ce8d1e00.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### GDSS

Top-Hit 5% Docking Score (kcal/mol): -9.224. Result ID: 699a89e85698665ec4140353.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6cc81e209131cea35fa6.md>)

Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### JTVAE

Top-Hit 5% Docking Score (kcal/mol): -9.079. Result ID: 6998f77e5698665ec45c9b36.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa658c1e209131cea0b09c.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### GEGL

Top-Hit 5% Docking Score (kcal/mol): -9.073. Result ID: 6998f77e5698665ec45c9b3b.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f0b1e209131ce9e72c7.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### HierVAE

Top-Hit 5% Docking Score (kcal/mol): -8.978. Result ID: 6998f77e5698665ec45c9b3a.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa675a1e209131cea15c36.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### HierVAE

Top-Hit 5% Docking Score (kcal/mol): -8.978. Result ID: 699a89e85698665ec4140351.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa675a1e209131cea15c36.md>)

Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### RetMol

Top-Hit 5% Docking Score (kcal/mol): -8.811. Result ID: 6998f77e5698665ec45c9b40.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f491e209131ce9e8c0b.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### Genetic GFN

Top-Hit 5% Docking Score (kcal/mol): -8.719. Result ID: 6998f77e5698665ec45c9b41.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f6b1e209131ce9e9a81.md>)

[Implementation](<https://github.com/hyeonahkimm/genetic_gfn>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### REINVENT

Top-Hit 5% Docking Score (kcal/mol): -8.392. Result ID: 6998f77e5698665ec45c9b35.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa639a1e209131ce9ff868.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### REINVENT

Top-Hit 5% Docking Score (kcal/mol): -8.392. Result ID: 699a89e85698665ec414034f.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa639a1e209131ce9ff868.md>)

Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

### MORLD

Top-Hit 5% Docking Score (kcal/mol): -8.04. Result ID: 6998f77e5698665ec45c9b39.

[Reporting paper](<https://www.sota2.com/research/paper/697c3b71a8b01e76cc8da770.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### MORLD

Top-Hit 5% Docking Score (kcal/mol): -8.04. Result ID: 699a89e85698665ec4140350.

[Reporting paper](<https://www.sota2.com/research/paper/68fa494e1e209131ce9361cd.md>)

Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction.

Page 1 of 1. This is an index page, not the full collection.