pymatgen topic

Python module for drawing and rendering beautiful atoms and molecules using Blender.

beautiful-atoms

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

santoshkumarradha

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-frien...

SMTG-Bham

Defect structure-searching employing chemically-guided bond distortions

SMTG-Bham

Dealing with slabs for first principles calculations of surfaces

SMTG-Bham