Unconditional Molecule Generation on GuacaMol SMILES (test)
100ValidityTraining set
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Training set2026.06 | 100 | 100 | 0 | 99.9 | 92.8 | |
| FO-ARMBackbone=Transformer2026.06 | 98.5 | 98.3 | 80.4 | 99.4 | 90.3 | |
| IPTermination=classifier-based2026.06 | 97.4 | 97.3 | 95.6 | 97.2 | 89.2 | |
| IPTermination=policy-based2026.06 | 97.2 | 97 | 94.9 | 97.1 | 88.2 | |
| LSTM2026.06 | 95.9 | 95.9 | 87.5 | 99.1 | 91.3 | |
| LO-ARM2026.06 | 89.7 | 89.4 | 81.6 | 96.1 | 83.7 | |
| AO-IPDescription=Any-Order insertion ablation2026.06 | 88.2 | 88.2 | 87.7 | 95.3 | 79.1 | |
| VAE2026.06 | 87 | 86.9 | 84.7 | 98.2 | 86.3 | |
| AO-ARM2026.06 | 83.1 | 83.1 | 80.7 | 93.1 | 69.3 | |
| AAE2026.06 | 82.2 | 82.2 | 82.1 | 88.6 | 52.9 |