# Molecular Generation on MOSES scaffold (test)

Source: [Molecular Generation on MOSES scaffold (test)](<https://www.sota2.com/research/sota/molecular-generation-on-moses-scaffold-test>)

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

Data updated: 2026-02-26T05:44:03.934Z

Evaluation of molecular generation models on the test split of the MOSES scaffold dataset, focusing on metrics such as FCD, SNN, Frag, Scaff, and Filters.

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) | MOSES scaffold (test) |
| Metric | FCD |
| 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

- [FCD](<https://www.sota2.com/research/sota/molecular-generation-on-moses-scaffold-test.md?metric=FCD>): Lower is better; unit: SCALAR.

- [SNN](<https://www.sota2.com/research/sota/molecular-generation-on-moses-scaffold-test.md?metric=SNN>): Higher is better; unit: SCALAR.

- [Frag](<https://www.sota2.com/research/sota/molecular-generation-on-moses-scaffold-test.md?metric=Frag>): Higher is better; unit: PERCENT.

- [Scaff](<https://www.sota2.com/research/sota/molecular-generation-on-moses-scaffold-test.md?metric=Scaff>): Higher is better; unit: PERCENT.

- [Filters](<https://www.sota2.com/research/sota/molecular-generation-on-moses-scaffold-test.md?metric=Filters>): Higher is better; unit: PERCENT.

## Recorded results

| Method | FCD | Result date | Report paper |
| --- | --- | --- | --- |
| LatentGAN | 0.828 | Not recorded | 68fa492f1e209131ce9354fd |
| JTN-VAE | 0.938 | Not recorded | 68fa492f1e209131ce9354fd |
| DiGress | 1.19 | Not recorded | 68fa492f1e209131ce9354fd |
| GraphINVENT | 1.223 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN100 | 2.604 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN1k | 2.73 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN10 | 2.768 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN\*1k | 4.473 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN\*100 | 4.802 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN\*10 | 11.79 | Not recorded | 68fa492f1e209131ce9354fd |

### LatentGAN

FCD: 0.828. Result ID: 698b9f147a967eddb770183d.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

Recorded evaluation configuration: {"Category":"ARs"}. This record does not assert independent reproduction.

### JTN-VAE

FCD: 0.938. Result ID: 698b9f147a967eddb770183c.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

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

Recorded evaluation configuration: {"Category":"ARs"}. This record does not assert independent reproduction.

### DiGress

FCD: 1.19. Result ID: 698b9f147a967eddb770183f.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6f661e209131cea45555.md>)

Recorded evaluation configuration: {"Category":"DMs"}. This record does not assert independent reproduction.

### GraphINVENT

FCD: 1.223. Result ID: 698b9f147a967eddb770183e.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

Recorded evaluation configuration: {"Category":"ARs"}. This record does not assert independent reproduction.

### ChemBFN100

FCD: 2.604. Result ID: 698b9f147a967eddb7701841.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: {"Category":"BFNs","Sampling steps":100,"Representation":"SMILES"}. This record does not assert independent reproduction.

### ChemBFN1k

FCD: 2.73. Result ID: 698b9f147a967eddb7701842.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: {"Category":"BFNs","Sampling steps":1000,"Representation":"SMILES"}. This record does not assert independent reproduction.

### ChemBFN10

FCD: 2.768. Result ID: 698b9f147a967eddb7701840.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: {"Category":"BFNs","Sampling steps":10,"Representation":"SMILES"}. This record does not assert independent reproduction.

### ChemBFN\*1k

FCD: 4.473. Result ID: 698b9f147a967eddb7701845.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: {"Category":"BFNs","Sampling steps":1000,"Representation":"SELFIES"}. This record does not assert independent reproduction.

### ChemBFN\*100

FCD: 4.802. Result ID: 698b9f147a967eddb7701844.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: {"Category":"BFNs","Sampling steps":100,"Representation":"SELFIES"}. This record does not assert independent reproduction.

### ChemBFN\*10

FCD: 11.79. Result ID: 698b9f147a967eddb7701843.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: {"Category":"BFNs","Sampling steps":10,"Representation":"SELFIES"}. This record does not assert independent reproduction.

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