material-science topic
cp2k
Quantum chemistry and solid state physics software package
SISSO
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
qe-gpu
GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
pylife
a general library for fatigue and reliability
dftfe
DFT-FE: Real-space DFT calculations using Finite Elements
pbcpy
Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy
aviary
The Wren sits on its Roost in the Aviary.
pylada-light
A physics computational framework for python and ipython
quanfima
Quanfima (Quantitative Analysis of Fibrous Materials)