pyiron - an integrated development environment (IDE) for computational materials science.
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
Manipulating VASP files with Python.
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
A Python library for electronic structure pre/post-processing
atomate2 is a library of computational materials science workflows
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
p4vasp, the VASP Visualization Tool
Phonon anharmonicity analysis from molecular dynamics
BandUP: Band Unfolding code for Plane-wave based calculations
Fermi surface generation, analysis and visualisation.
Defect structure-searching employing chemically-guided bond distortions
Python package to analyse electron density & electrostatic potential grids
Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
A simple way to calculate Gibbs free energy from Vasp calculations
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