Xtals.jl is a Julia package to work with crystal structures.
Github page: github.com/SimonEnsemble/Xtals.jl
PoreMatMod.jl is a Julia package to modify crystal structures. Given an atomic structure,
PoreMatMod.jl operates as a substructure find-and-replace tool.
Github page: github.com/SimonEnsemble/PoreMatMod.jl
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
Controlz.jl is a Julia package to explore concepts in process dynamics and control.
Github page: github.com/SimonEnsemble/Controlz.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