To evaluate BuildAMol's performance and capabilities, we compared it to the Stk library, the closest existing software for molecular construction. We focused on five diverse examples from the Stk documentation with publicly available source code (Figure ). These examples encompassed a wide range of molecular structures: (1) an aminated cycloheptane ring, (2) a macrocycle of butylamine molecules, (3) a metal complex, (4) a linear polymer, and (5) a simple rotaxane with three cycles around a linear axle.