PorousMaterials.jl is a pure-Julia package for classical molecular modeling of adsorption in porous crystals such as metal-organic frameworks (MOFs).

Github page: github.com/SimonEnsemble/PorousMaterials.jl

pyIAST predicts mixted-gas adsorption isotherms in a nanoporous material from pure-component gas adsorption isotherms using Ideal Adsorbed Solution Theory (IAST).

Github page: github.com/CorySimon/pyIAST