Molecular Graph Generation on GuacaMol
100ValidityTraining Set
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| Training Set2026.01 | 100 | 100 | 0 | 99.9 | 92.8 | — | |
| DeFoG2026.01 | 99 | 99 | 97.9 | 97.7 | 73.8 | 40,000 | |
| DeFoG2026.02 | 99 | — | 97.9 | 97.7 | — | — | |
| Cometh2026.01 | 98.9 | 98.9 | 97.6 | 96.7 | 72.7 | 40,000 | |
| Cometh2026.02 | 98.9 | — | 97.6 | 96.7 | — | — | |
| Flowette2026.02 | 98.6 | — | 98 | 97.9 | — | — | |
| G2PT2026.02 | 95.3 | — | 94.8 | 95.6 | — | — | |
| LG-Flow2026.01 | 93 | 93 | 91.5 | 97.2 | 81.8 | 1,100 | |
| GEEL2026.02 | 88.2 | — | 77.1 | 93.1 | — | — | |
| DisCo2026.01 | 86.6 | 86.6 | 86.5 | 92.6 | 59.7 | — | |
| DisCo2026.02 | 86.6 | — | 86.5 | 92.6 | — | — | |
| DiGress2026.01 | 85.2 | 85.2 | 85.1 | 92.9 | 68 | — | |
| DiGress2026.02 | 85.2 | — | 85.1 | 92.9 | — | — |