Before proceeding with the analysis of the remaining MOFs, we evaluated the necessity of finetuning by comparing MACE-DAC-1 to MACE-MP. As shown in Supplementary Figure , S4 and S15, MACE-MP tended to overestimate interaction energies, leading to an overestimation of H2O Qst compared to MACE-DAC-1. In this context, similar to the observation that not all promising MOFs demonstrate desirable performance in UFF+DDEC calculations, 47 out of 119 MOFs (approximately 40 %) fail to be identified as promising when using MACE-MP instead of MACE-DAC-1.