Austin Zadoks's repositories
structureREST
RESTful interface for structure comparison and more
aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
aiida-fingerprint
Structure fingerprinting workflows for AiiDA
aiida-optimize
Defines AiiDA workchains that simplify running optimization workflows.
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiida-soap
AiiDA workflow for SOAP fingerprinting using QUIP/quippy
aiida-submission-controller
A prototype of a class to help controlling the number of submissions performed at any given time
aiida_core
The official repository for the AiiDA code
mincepy_sci
MincePy plugins for common scientific data types
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.