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: $—

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
or drop a file here
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Reference ligand
or drop a file here
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Optional settings

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