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Molecular Docking on fa7

-10.359Mean Docking ScoreTrio*
-10.55544-9.22947-7.9035-6.57753Dec 10, 2025

Evaluation results

MethodLinks
Trio*Group=Ours2025.12-10.3590.029
TrioGroup=Ours2025.12-10.1320.015
f-RAGGroup=Recent SOTA2025.12-9.8990.205
GEAMGroup=Recent SOTA2025.12-9.890.116
FREEDGroup=Baselines2025.12-8.3780.044
MOODGroup=Baselines2025.12-8.160.071
RationaleRLGroup=Baselines2025.12-8.1290.048
PS-VAEGroup=Baselines2025.12-8.0280.05
MARSGroup=Baselines2025.12-7.8390.018
JT-VAEGroup=Baselines2025.12-7.6830.048
GEGLGroup=Baselines2025.12-7.470.013
Graph GAGroup=Baselines2025.12-7.3650.326
Genetic GFNGroup=Baselines2025.12-7.2880.433
REINVENTGroup=Baselines2025.12-7.2050.264
HierVAEGroup=Baselines2025.12-6.8120.274
GA+DGroup=Baselines2025.12-6.5390.297
MORLDGroup=Baselines2025.12-6.2630.165
RetMolGroup=Baselines2025.12-5.4480.688