Rowan's hydrogen-bond-basicity workflow begins by running a conformer search on the input molecule using the ETKDG algorithm as implemented in RDKit. Following initial conformer generation and MMFF94 optimization, we filter the resulting conformational ensemble using the CREST screening protocol and GFN2-xTB energies to de-duplicate structures and remove high-energy conformers. A 2% rotational constant threshold, a 0.25 Å RMSD similarity threshold, and a 50 kcal/mol energy cutoff window are employed for CREST screening.