brookwander

catlas

files for dask parallelization of catalysis system enumeration and inference using the Open Catalyst Project

brookwander

Config files for my GitHub profile.

catmap

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps. Project led by @mkhorton.

ocp

https://opencatalystproject.org/

Open-Catalyst-Dataset

Workflow for creating and analyzing the Open Catalyst Dataset

vasp-interactive

x3dase

X3D for Atomic Simulation Environment