MICCoM has released two python packages for analysis of first principles simulations: PyCDFT, and PyZFS. PyCDFT computes diabatic states using constrained density functional theory (CDFT). It provides an object-oriented, customizable implementation of CDFT, and allows for both single-point self-consistent-field calculations and geometry optimizations. PyZFS, on the other hand, is used for the calculation of the zero-field splitting tensor, D, of molecules and solids, based on wavefunctions obtained from density functional theory calculations. PyZFS features a modular design and utilizes abstract classes for extensibility. It has already been used to predit ZFS tensors for spin defects in semiconductors as well as spin-phonon interactions in solids. Both PyCDFT and PyZFS can use wavefunctions generated by various plane-wave DFT codes as input, including