Alex Ganose's repositories
kramers-kronig
Calculate the real part of the dielectric function from the imaginary part
materials-toolbox
A collection of scripts to help with general comp chem hpc work
automatminer
An automatic "black-box" yet interpretable engine for predicting materials properties.
CarrierCapture.jl
Package to compute trap-assisted electron and hole capture in semiconducting compounds
Chem_LLM_Hackathon
Repository for the Imperial 2023 large language model hackathon.
crystaltoolkit
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website. Project led by @mkhorton.
homebrew-matsci
Scientific software useful for materials science for the Homebrew package manager
intellij-colors-solarized
Solarized Colorscheme for IntelliJ IDEA
Kabsch_interpolation
Code for Kabsch interpolation
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
toxiclibsjs-examples
Repo for toxiclibs.js website and examples
utf.github.io
Source for the personal website of Alex Ganose