Energy Relaxation Evaluation on GEOM-Drugs n=2,000 (test)
16.5Mean ΔE (kcal/mol)Reference
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Reference2026.06 | 16.5 | 13.9 | 0.65 | 0.51 | |
| TopVAE+DiT2026.06 | 40.6 | 19.8 | 1.14 | 0.99 | |
| UDM-3D2026.06 | 104.4 | 76.8 | 1.24 | 1.12 |
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