Semiconductors Python Packages

doped

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.

shakenbreak

Defect structure-searching employing chemically-guided bond distortions

solphin

Python package to automate and assist calculating Figures of Merit for Photovoltaic materials.

chipsff

Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093

serenity-chokepoint

Find AI supply-chain "chokepoint" stocks — an auditable reproduction of Serenity's framework, with an adversarial red-team and honest out-of-sample backtests. Not financial advice.