Kinik's starred repositories
csd-python-api-scripts
Example scripts using the CSD Python API
TanabeSugano
A python-solver for Tanabe-Sugano and energy-correlation diagrams
materials-coord
MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
LearnHartreeFock.jl
Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
BestPractices
Things that you should (and should not) do in your Materials Informatics research.
notion-website-template
Make a personal website using Notion and GitHub Pages
SciCompforChemists
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.