Projects

These are side projects that I work on or have worked on outside of my research project.

Previous Projects

chemreps
chemreps is a python library for creating molecular representations for machine learning in chemistry. Currently the library contains basic machine learning representations that we have coded from literature with more on the way.

QM/MM Study Group
This was a graduate student run group with the aim of providing python notebooks and scripts to incoming graduate students at Pitt with the hope that it would make the transition into computational chemistry a bit easier.