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

• GAP
• QUIP
• matscipy
• QUIPforLAMMPS - Interface between QUIP and LAMMPS MD codes
• workflow
• pymatnest
• ExPyRe