Forward Simulation on Drugs benchmark leaderboard · SOTA2 Research

Forward Simulation on Drugs

0.036JSD Mean Bond Angle DeviationMD ORACLE

Updated 3mo ago

Evaluation Results

Method	Links
MD ORACLE2026.04		0.036	—	—	—	—	—	—	—	—	—	—	0.023	0.03	0.028	0.215	0.131	0.484	0.494	0.61	0.63
EGINTERPOLATOR-CASC2026.04		0.173	—	—	—	—	—	—	—	—	—	—	0.153	0.1419	0.112	0.377	0.388	0.454	0.441	0.65	0.644
EGINTERPOLATOR-SIMPLE2026.04		0.208	—	—	—	—	—	—	—	—	—	—	0.192	0.258	0.244	0.385	0.399	0.462	0.465	0.66	0.662
AR + GEOTDM2026.04		0.608	—	—	—	—	—	—	—	—	—	—	0.611	0.613	0.613	0.509	0.497	0.504	0.505	0.727	0.725
GEOTDM2026.04		0.64	—	—	—	—	—	—	—	—	—	—	0.645	0.643	0.645	0.498	0.503	0.531	0.55	0.712	0.72
AR + EGNN2026.04		0.663	—	—	—	—	—	—	—	—	—	—	0.655	0.748	0.784	0.723	0.741	0.716	0.731	0.806	0.821
AR + ET2026.04		0.765	—	—	—	—	—	—	—	—	—	—	0.766	0.733	0.745	0.526	0.533	0.565	0.558	0.791	0.795
EGINTERPOLATOR2026.04		—	0.173	0.153	0.142	0.112	0.377	0.388	0.454	0.441	0.65	0.644	—	—	—	—	—	—	—	—	—
EGINTERPOLATOR-BOTH2026.04		—	0.212	0.197	0.216	0.195	0.417	0.434	0.488	0.506	0.681	0.679	—	—	—	—	—	—	—	—	—
EGINTERPOLATOR-LONG2026.04		—	0.18	0.155	0.147	0.116	0.404	0.411	0.484	0.484	0.685	0.68	—	—	—	—	—	—	—	—	—
GEOTDM2026.04		—	0.64	0.645	0.643	0.645	0.498	0.503	0.531	0.55	0.712	0.72	—	—	—	—	—	—	—	—	—
MD ORACLE2026.04		—	0.036	0.023	0.03	0.028	0.215	0.131	0.484	0.494	0.61	0.63	—	—	—	—	—	—	—	—	—