Ensembles were also generated for two dimers of rigid, continental-type asphaltene model compounds, a cluster of ten water molecules, and four host-guest complexes from the S30-L data set. LEDE-CREST is not expected to give superior results for these latter systems, as the monomers are not themselves flexible, and so CREST is expected to handle the energy landscape without issue. Further, ensembles were generated for three large single molecules: