I'm creating this repository to act as both a 'git-test' and to store all of the scripts I have been using throughout my PhD in Machine learning applications for computational sciences. As such, some of the things contained within this repository are extremely niche and might be of no use to the average Githubian. However if you want to exhaust yourself with horrifying computational science provenance tracking code intergration, or simply want some specific analytical tool to help sort or visualise your sparsification process. Then you've come to the right place!

You will find a couple within this repository:

1. AiiDA-tools

   • All scripts I have from dealing with AiiDA.

2. Conversion scripts

   • Scripts to convert between niche machine learning format input files and generic ase accepted ones.

3. Analytical scripts

   • Various analytical tools and scripts that I use, some frequently and others less so.