The generation of optimal material using NSGA is carried out in several cycles. Specifically, starting with the initial set of MOFs, structures are generated using NSGA and MOF-NET to predict adsorption uptake of the offspring. For the optimal materials from this cycle, we carry out high-fidelity GCMC simulations and use these additional results to retrain MOF-NET. Then, the new NSGA cycle starts using the optimal materials from the previous cycle and improved MOF-NET model. The process stops when no significant improvement in properties of materials generated by NSGA is observed. In particular, in this study we perform three NSGA cycles, leading to ~25 thousand, ~30 thousand and ~25 thousand structures for each cycle, respectively.