Binding free-energy calculation on SAMPL4 CB[7] held-out guests (test) benchmark leaderboard · SOTA2 Research

Binding free-energy calculation on SAMPL4 CB[7] held-out guests (test)

0.58R2MDForge

Evaluation Results

Method
MDForge2026.06	0.58	0.68	0.56
MDForge w/o Multi-expert debate2026.06	0.53	0.33	0.33
MDForge w/o Stage diagnostics2026.06	0.45	0.1	0.16
MDForge2026.06	0.43	0.3	0.2
Trial-level feedback2026.06	0.32	0.32	0.24
MDForge w/o Multi-expert debate2026.06	0.26	0.1	0
Trial-level feedback2026.06	0.21	0.2	0.2
Step-level feedback2026.06	0.14	0.21	0.16
Step-level feedback2026.06	0.13	0.2	0.2
MDForge w/o Stage diagnostics2026.06	0.1	0.1	0