Documentation Pages
- GAP - Gaussian Approximation Potentials (works with QUIP)
- QUIP and quippy - General-purpose library for Quantum Mechanics and Interatomic Potentials
- matscipy - Python materials science tools
- workflow - Python toolkit for building interatomic potential creation and atomistic simulation workflows
- pymatnest - Python implementation of Nested Sampling
- ExPyRe - Python package for executing arbitrary (pickleable) python functions remotely on an HPC queueing system
GitHub Repositories