# Distribution Learning on ZINC250K

Source: [Distribution Learning on ZINC250K](<https://www.sota2.com/research/sota/distribution-learning-on-zinc250k>)

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

Data updated: 2026-02-26T06:07:53.361Z

Evaluation of generative model performance on the ZINC250K dataset focusing on distribution learning capabilities, measured by metrics including Uniqueness, Novelty, KL Divergence, and Fréchet ChemNet Distance (FCD).

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 | distribution-learning |
| Dataset (including any stated split) | ZINC250K |
| Metric | Uniqueness |
| Unit | PERCENT |
| Direction | Higher 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

- [Uniqueness](<https://www.sota2.com/research/sota/distribution-learning-on-zinc250k.md?metric=Uniqueness>): Higher is better; unit: PERCENT.

- [Novelty](<https://www.sota2.com/research/sota/distribution-learning-on-zinc250k.md?metric=Novelty>): Higher is better; unit: PERCENT.

- [KL Divergence](<https://www.sota2.com/research/sota/distribution-learning-on-zinc250k.md?metric=KL%20Divergence>): Lower is better; unit: SCALAR.

- [FCD](<https://www.sota2.com/research/sota/distribution-learning-on-zinc250k.md?metric=FCD>): Lower is better; unit: SCALAR.

## Recorded results

| Method | Uniqueness | Result date | Report paper |
| --- | --- | --- | --- |
| GraphDF | 99.8 | Not recorded | 68fa5f351e209131ce9e83c3 |
| PS-VAE | 99.7 | Not recorded | 68fa5f351e209131ce9e83c3 |
| H-VAE\* | 99.1 | Not recorded | 68fa5f351e209131ce9e83c3 |
| JT-VAE | 98.8 | Not recorded | 68fa5f351e209131ce9e83c3 |
| F-VAE\* | 98.8 | Not recorded | 68fa5f351e209131ce9e83c3 |
| GCPN | 98.2 | Not recorded | 68fa5f351e209131ce9e83c3 |
| MARS | 73.7 | Not recorded | 68fa5f351e209131ce9e83c3 |
| GraphAF | 28.8 | Not recorded | 68fa5f351e209131ce9e83c3 |
| HierVAE | 13.1 | Not recorded | 68fa5f351e209131ce9e83c3 |
| GA | 0.8 | Not recorded | 68fa5f351e209131ce9e83c3 |

### GraphDF

Uniqueness: 99.8. Result ID: 698bbeb87a967eddb7710b22.

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

[Method origin paper](<https://www.sota2.com/research/paper/68fa6a101e209131cea25ebb.md>)

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

### PS-VAE

Uniqueness: 99.7. Result ID: 698bbeb87a967eddb7710b28.

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

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

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

Recorded evaluation configuration: {"vocabulary":"principal subgraph vocabulary"}. This record does not assert independent reproduction.

### H-VAE\*

Uniqueness: 99.1. Result ID: 698bbeb87a967eddb7710b26.

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

Recorded evaluation configuration: {"vocabulary":"principal subgraph vocabulary"}. This record does not assert independent reproduction.

### JT-VAE

Uniqueness: 98.8. Result ID: 698bbeb87a967eddb7710b1f.

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

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

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

### F-VAE\*

Uniqueness: 98.8. Result ID: 698bbeb87a967eddb7710b27.

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

Recorded evaluation configuration: {"vocabulary":"principal subgraph vocabulary"}. This record does not assert independent reproduction.

### GCPN

Uniqueness: 98.2. Result ID: 698bbeb87a967eddb7710b20.

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

[Method origin paper](<https://www.sota2.com/research/paper/68fa65651e209131cea09fa4.md>)

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

### MARS

Uniqueness: 73.7. Result ID: 698bbeb87a967eddb7710b24.

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

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

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

### GraphAF

Uniqueness: 28.8. Result ID: 698bbeb87a967eddb7710b21.

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

[Method origin paper](<https://www.sota2.com/research/paper/68fa671a1e209131cea14383.md>)

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

### HierVAE

Uniqueness: 13.1. Result ID: 698bbeb87a967eddb7710b25.

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

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

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

### GA

Uniqueness: 0.8. Result ID: 698bbeb87a967eddb7710b23.

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

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

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

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