Stephen Goodlett's Projects
tools for manipulating molecular descriptors
Fermi quantum chemistry program
Package to handle integrals over Gaussian-type atomic orbitals.
Gaussian Process Regression Potential Energy Surfaces
Irreducible representation matrices for the molecular point groups found in Cotton's "Chemical Applications of Group Theory"
I can't believe it's NonAbelian!
Non-Abelian Symmetry
Notes on various programs
Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
materials from PsiCon 2020
Random and assorted functions and scripts that do things
CCQC Summer Projects
Handling of molecular symmetry, including character table generation and SALCs