DrugFlow


Generate candidate ligands similar to a reference compound in a protein binding site using continuous flow matching with discrete Markov bridges.

Estimated minimum cost: $0.5130

Optional settings


Override defaults for checkpoint selection, sampling, and molecule size. Leave fields blank or unchanged to use model defaults where applicable.

Examples

Input structures


Upload a 3D protein structure (PDB or CIF) and a reference ligand (SDF, MOL, or MOL2) that defines the binding pocket.

Protein
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Reference ligand
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