9 projects
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
icet
A Pythonic approach to cluster expansions
rhodent
Analyzing hot-carrier distributions from TD-DFT simulations
dynasor
Dynamical structure factors and correlation functions from molecular dynamics trajectories
wulffpack
A package for making Wulff constructions
trainstation
Convenient training of linear models
hiPhive
High-order force constants for the masses
mplpub
Pretty plots with matplotlib and LaTeX
