Material Construction
- mbuild : Component-based system builder
- stk : Construction of framework molecules.
- PORMAKE : Construction of MOFs from pre-defined building blocks
- ToBaCCo : Construction of MOFs from pre-defined building blocks
- PyCOFBuilder : Construction of COFs
- PoreMatMod.jl : Substructure find-and-replace tool for crystal structures
- MOFUN : Find-and-replace in crystal structures
- MAZE : Zeolite classes in ASE
- MOFid : Unique identifiers for MOFs
- moffragmentor : Turn a MOF into its building blocks.
- ZSE : Zeolite structure generation/analysis in ASE
- zeoran : Various kinds of zeolite heteroatom exchange methods
- Architector : 3D transition metal complex generation
- PyConSolv : 3D transition metal complex generation, with solvent
- molsimplify : 3D transition metal complex generation
- cell2mol : Generate connectivity metadata for molecular crystals
- PyXtal : Symmetry-handling tools
- PACKMOL : For packing molecules in a region of space