dataset of Yao et al., which encodes approximately 300,000 linker molecules as SMILES strings. From this extended pool of edge SBUs, we construct MOFs with unique organic linkers to ensure sufficient chemical diversity in the training dataset. The diversity during construction was limited to frequently occurring topologies with one node / edge building block per MOF to align with experimental synthesis feasibility (a list of the topologies which satisfy our criteria are provided in Supplementary Table ). We further dis-carded any MOFs with cell lengths greater than 60 Å or whose number of atoms exceed 1500 to minimise the computational cost associated with material property predictions. For each of the models discussed in the Results section, we use 10,000, 1,000, and 1,000 MOF structures for training, validation, and testing purposes, respectively.