We develop our deep dreaming approach in much the same spirit as Shen et al. However, our task is more challenging as we need to consider not only the small organic molecule which forms the edge SBU, but also the inorganic node SBU, their interactions, and how they coordinate in a given topology. Each component may contribute to our ML model predictions to varying degrees depending on the property of interest. For example, the heat capacity of a MOF, c p , is mostly determined by short-range chemical bonding environments; 30 in this setting, contributions from global features such as the topology can be ignored while still obtaining good predictive performance. However, the role of topology cannot be ignored if one is interested in predicting adsorption properties, which depends on both the chemistry and structure of the MOF. It is therefore important to capture all these dependencies simultaneously within our approach.