Items related to chemistry

MD-SAPT Project

to

A software package for analyzing molecular dynamics trajectories using quantum mechanics methods

MD-SAPT is a Python package for analyzing molecular dynamics (MD) trajectories using a quantum…
Python CI/CD chemistry cal-poly
My trip to the ACS Spring 2022 conference Blog

Or, how I got dragged into a computational chemistry research project and went on vacation to San Diego
I guess I'm a travel blogger now. Context ![Domino meme. Small domino: meeting some random girl at a…
travel chemistry /projects/mdsapt /projects/qr-tattoo