Here is a selection of some of my computational work. Code, animations and such

During my PhD I used a lot of computational tools, and worked with a lot of data. This blog displays a selection of what I used. The main things I used were python, R (shiny and ggplot), Zsh shell scripts, and computational chemistry modeling programs (Orca for quantum and GROMACS for classical simulations). I’d be happy to answer any questions people have about how/why I did stuff.

For my post with a python script, where I pick apart an old script: Python code to add a water molecule

For my post with a nice looking arrangement of 2 variables linked with a parameter: pretty heatmap of hexagonally binned data

For some gifs of molecular vibrations from quantum calculations that I ran: Animations of molecular vibrations

If what you want is ramblings about odd/interesting biological (mostly) topics then check out my other blog rafabiocali