Some works have tried to address the question of the impact of framework flexibility on adsorption, and to evaluate it systematically. Restricting the chemical space to zeolitic imidazolate frameworks (and more precisely, ZIF-8 polymorphs), Han et al. used MD simulations with an adapted flexible force field to derive statistical insight and obtain relationships between molecular size, adsorbate-loaded window size, and guest hopping rate. They demonstrated the importance of taking flexibility into account to perform large-scale screening of small pore MOFs, when molecular diffusion is important. Yu et al. compared different MD methodologies for taking into account framework flexibility, also highlighting the importance of adsorption-relaxation simulations to make quantitative predictions of adsorption, particularly at dilute concentrations. In a third work from the Sholl group, Yang et al. compared the diffusion coefficients of 12 adsorbates in a diverse set of 17 MOFs, with flexible and rigid frameworks. Beyond stressing (again) the importance of flexibility of transport properties, the authors introduced several simple metrics that can estimate the importance of framework flexibility on molecular diffusion. When it comes to systematic prediction of thermal properties, the body of work published is more limited. Highthroughput screenings using MD with "universal" force fields have been proposed: Islamov et al. screened thermal conductivity in 10,194 hypothetical MOFs using the UFF4MOF force field. Thakur et al. relied on the same methodology to screen the thermal conductivity of 10,750 COFs with 651 distinct organic linkers. Yue et al. combined this MDbased approach with the training of a machine learning predictor, in a large-scale screening of thermal expansion of MOFs to identify materials displaying NTE. Very recently, Ghavanati et al. tried to go beyond the use of these generic force fields: they proposed and applied an automated protocol to construct flexibility parameters, based on DFT data, in order to construct ad hoc classical force fields for flexible MOFs. While not generalized at the scale of screening yet, this approach is promising, and the authors used it to compute heat capacities and thermal expansion coefficients of MOFs.