In this research paper, we perform this comprehensive validation of cDFT by comparing cDFT predictions of adsorption isotherms and enthalpies of adsorption with GCMC results for more than 500 MOFs, using CH 4 , N 2 , and CO 2 as guest molecules. N 2 and CO 2 are important molecules to study as they appear in important separation processes such as carbon capture and no extensive validation for these molecules have been performed. To improve cDFT predictions accuracy for CO 2 , Coulombic interactions between the porous material and the guest molecule are introduced in the framework. We confirm the low computational time of cDFT by computing adsorption isotherms in a median time of 6 CPU-minutes on one node of an AMD Ryzen Threadripper PRO 3975WX, while closely reproducting GCMC simulation results for the three adsorbate molecules. We demonstrate the ability of cDFT to faithfully replicate GCMC predictions of enthalpies of adsorption while exhibiting low numerical error. These comprehensive comparisons underscore the potential of cDFT as a relevant option in the computational assessment of porous materials for physical adsorption.