8 projects
icet
A Pythonic approach to cluster expansions
hiphive
High-order force constants for the masses
trainstation
Convenient training of linear models
calorine
A Python library for building and sampling NEP models via the GPUMD package
mumott
A library for the analysis of multi-modal tensor tomography data
wulffpack
A package for making Wulff constructions
dynasor
Dynamical structure factors and correlation
mplpub
Pretty plots with matplotlib and LaTeX