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.

Defect structure-searching employing chemically-guided bond distortions

Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.

GUI for running simulations with universal machine learning interatomic potentials (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET))

Generating charge defect plots with energy correction included.

Online application for creating supercells and random point defects in crystal structures