GengSS

Computational Catalysis

Pinned Repositories

catalapp
codes for advanced catalysis simulation
Language:Python4 1 00
allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
Language:Python366 21 4047
pyscf
Python module for quantum chemistry
Language:Python1.3k 80 1.5k591
vasp-interactive
Language:Jupyter Notebook63 4 3212

GengSS's Repositories

GengSS/catalapp
codes for advanced catalysis simulation
Language:Python4 1 00