Engineering by Quantum mechanics). Bio-electronic noses (top right panel) are designed as an electronic equivalent to the olfactory system (top left panel), e.g., for sensing body odor volatilomes (BOV). The MORE-Q dataset offers a comprehensive collection of quantum-mechanical properties and structural data that accurately describe intra-and intermolecular interactions in molecular sensors, see lower panel. chemoinformatic properties (e.g., drug-likeness, pharmacokinetic profile, molecular weight, log P) and odorant-receptor match information for 875 systems. In a more recent study, Lalis et al. developed M2OR database of 51, 395 odorant-receptor systems for understanding the molecular mechanisms of olfaction. Numerous similar datasets have been published regarding odorant-receptor interactions and match information . However, to the best of our knowledge, none of these datasets account for a quantum-mechanical (QM) treatment of physical and chemical interactions in odorant-receptor systems. This is of great relevance because accurately describing intermolecular interactions -such as van der Waals forces, hydrogen bonds, and dipole-dipole interactions -is essential for determining the correct docking configuration and binding features. Indeed, recent efforts have focused on developing QM datasets to understand the structure-property and property-property relationships in both small and large molecular systems . Additionally, a few QM datasets for small molecular dimers have been generated, where the relevant property is solely the interaction energy . Another open challenge in this field is the accurate investigation of the interaction of odorant-receptor systems on a substrate. Carbon-based materials such as graphene are promising sensing materials due to their high charge mobility and favorable surface-to-volume ratio . Hence, it is essential to have a dataset that provides a QM description of both the structural and electronic properties of odorant-receptor systems, as well as their interaction with a sensing material.