Code

I mainly write programs for my research in order to process and analyze molecular simulation results. Most are not available publicly, but I have written several utilities and libraries to aid in analysis. I have also written programs for using machine learning techniques such as principal components analysis and diffusion maps.

Here is a selection of coding projects, programs, and libraries that I have made publicly available. All of these are hosted on my Github site.

Libraries

Example programs

Force field implementations

Utilities