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smina — Vecura
smina
smina is a fork of AutoDock Vina that improves scoring and minimization for protein-ligand docking, with support for multiple ligand formats, custom scoring functions, and energy minimization to convergence.
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
X
Y
Z
X
Y
Z
poses
kcal/mol
Å
threads
Configure input settings on the left, then click "Run"