core-spec-pyscf #

This is a PySCF extension to make some things easier for core spectroscopy. You can install it with pip install core-spec-pyscf!

Psi4 #

My Psi4 fork is here. So far, I’ve added a relativistic Hamiltonian which can be used with all references. The PR has been accepted!

TiDES #

This is a child of the Kretchmer Group at Georgia Tech made for Real-Time electronic structure calculations. I made a few contributions, mostly for adding relativistic Hamiltonians. I’ve also used this a lot for my own curiosity. Very cool!

PySCF #

Forked so I could add the missing GHF stability method. PR was merged!

KiosPlugins #

This is a repo for my VSTs. The only one worth your time is PolySlew. Most are based off the framework of the AirWindows plugins. A release is available for both VSTs.

water-nanoparticles-MD #

This contains the Amber code used in my undergraduate thesis. Different branches are used for investigating different aspects of the system. Still in progress.