11 dependents
Package Description Downloads/month
Be a master builder of databases of material properties. Avoid the Kragle. 608K
doped is a Python software for the generation, pre-/post-processing and analysis... 11K
Defect structure-searching employing chemically-guided bond distortions 10K
Masgent: Materials Simulation Agent 3K
Framework to analyze properties of radiation-induced defects in semiconductor ma... 2K
APEX: Alloy Properties EXplorer using simulations 1K
Tools for atomistic calculations, provides features for point-defect calculation... 1K
Compute and analyse point-defect equilibria. 1K
DP-GEN: The deep potential generator 981
CSSlib is an open-source code for building configuration search space (CSS) of d... 655
Generate supercell and check supercell convergence with SCF forces 38