Awaiting structure0%
Register a protein-ligand complex to begin
Use a locked paper profile for reproducibility, or automatic RDKit extraction for a fresh structure-derived graph. Exact clique results remain the reference in both modes.
PDB pharmacophores → compatibility graph → exact clique reference → adaptive DC-QAOA heuristic.
Use a locked paper profile for reproducibility, or automatic RDKit extraction for a fresh structure-derived graph. Exact clique results remain the reference in both modes.