Molecule Generation on Polymer and Drug datasets (test)
100NoveltyMARS
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MARS2026.05 | 100 | 75 | |
| JTVAE-BO2026.05 | 100 | 68.47 | |
| FREED2026.05 | 100 | 100 | |
| GDPO2026.05 | 100 | 95.77 | |
| Graph GA2026.05 | 99.5 | 100 | |
| DiGress2026.05 | 99.08 | 78.11 | |
| MOOD2026.05 | 98.67 | 97.61 | |
| DiGressversion=v22026.05 | 98.01 | 77.2 | |
| DeFoG2026.05 | 95.48 | 88.19 | |
| LSTM-HC2026.05 | 94.21 | 95.35 | |
| CoMoleReinforcement Learning=True2026.05 | 93.9 | 84.76 | |
| Graph DiT2026.05 | 91.39 | 87.39 | |
| GDSS2026.05 | 91.36 | 29.32 | |
| CoMoleReinforcement Learning=False2026.05 | 90.26 | 88.17 |