The idea of functional groups and local environments determining atomic structure is prevalent in chemistry, making a local approach to generate structures both attractive and plausible. We demonstrated the ability of the approach on both periodic SiO 2 target structures and on aperiodic C 5 H 12 O isomers. Our model was able to find all six target SiO 2 crystal structures while the random search only succeeded in three cases. Our predicted candidates also resulted in lower average energy and required less relaxation steps until convergence during the quantum-mechanical geometry optimization. In the search for C 5 H 12 O isomers, our model required only 39 training samples of similar molecules at different stoichiometries. We were able to recover all 14 possible isomers with only relaxing 38 selected structures from all 24,000 generated ones, which also highlights the efficiency of our filtering approach.