
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