calorine

Last released Oct 25, 2024

A Python library for building and sampling NEP models via the GPUMD package

rhodent

Last released Aug 17, 2024

Analyzing hot-carrier distributions from TD-DFT simulations

icet

Last released Jul 4, 2024

A Pythonic approach to cluster expansions

hiphive

Last released Jul 2, 2024

High-order force constants for the masses

trainstation

Last released Jun 11, 2024

Convenient training of linear models

mumott

Last released Jun 4, 2024

A library for the analysis of multi-modal tensor tomography data

wulffpack

Last released Mar 28, 2024

A package for making Wulff constructions

dynasor

Last released Oct 24, 2023

Dynamical structure factors and correlation

mplpub

Last released Oct 4, 2023

Pretty plots with matplotlib and LaTeX