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PandaDock — Vecura
PandaDock
SE(3)-equivariant GNN scoring for molecular docking. Hybrid workflow combines traditional Vina-style pose generation with GNN rescoring (Pearson R=0.88 on PDBbind). Also exposes universal rescorer and per-complex pKd prediction.
Click or drag & drop .sdf,.mol files here0/50
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poses
poses
Configure input settings on the left, then click "Run"