Binding free-energy calculation on SAMPL5 CBClip 4 guests (train)
0.71R2MDForge w/o Multi-expert debate
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| MDForge w/o Multi-expert debateRunnable=all 52026.06 | 0.71 | 0.8 | 0.67 | |
| MDForgeRunnable=all 52026.06 | 0.63 | 0.8 | 0.67 | |
| Trial-level feedbackRunnable=all 52026.06 | 0.54 | 0.4 | 0.33 | |
| MDForge w/o Stage diagnosticsRunnable=all 52026.06 | 0.54 | 0.4 | 0.33 | |
| Step-level feedbackRunnable=1-22026.06 | 0.12 | 0.4 | 0.33 |