Projects

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

Current Projects

diamondfp
diamondfp is a Python library for generating statistical fingerprints of baseball players, enabling similarity searches much like molecular similarity in chemistry.

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.