Xing Wang's repositories
weas-widget
A widget to visualize and edit atomic structures in Jupyter Notebook
aiida-workgraph
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
ase-quantumespresso
ASE calculators for Quantum ESPRESSO
workgraph-collections
This repository contains a collection of workgraphs for various codes.
aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
aiida-archive-inspect
An app to import a AiiDA archive file and inspect it
aiida-atomistic
AiiDA plugin which contains data and methods for atomistic simulations.
aiida-bader
AiiDA plugin for Bader charge analysis
aiida-core
The official repository for the AiiDA code
aiida-cp2k
The CP2K plugin for the AiiDA workflow and provenance engine.
aiida-phonopy
Phonon for AiiDA
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiida-shell
AiiDA plugin that makes running shell commands easy.
aiida-wannier90
AiiDA plugin for the Wannier90 code
aiida-wannier90-workflows
A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
aiidalab
Implements core functions for AiiDAlab.
aiidalab-demo-server
The k8s deployment repo for demo server on Azure (pure from z2jh)
aiidalab-qe-eos
A aiidalab-qe plugin to calculate the equation of state of a crystal.
aiidalab-qe-hello-world
Simplest possible AiiDAlab-QE plugin
aiidalab-widgets-base
Reusable widgets for AiiDAlab applications
big-map-registry
Registry for BIG-MAP apps and codes. Find the apps
plumpy
A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
qeapp-xps
A plugin for calculating X-ray Photoelectron Spectroscopy (XPS) spectra.
quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.