Pinned Repositories
aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
aiida-workgraph
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
beautiful-atoms
Python module for drawing and rendering beautiful atoms and molecules using Blender.
blase
Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.
pyliterature
A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so on.
weas
WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
weas-widget
A widget to visualize and edit atomic structures in Jupyter Notebook
x3dase
X3D for Atomic Simulation Environment
xcp2k
xcp2k is an module to combine CP2K into Atomic Simulation Environment (ASE)
xespresso
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
superstar54's Repositories
superstar54/weas-widget
A widget to visualize and edit atomic structures in Jupyter Notebook
superstar54/weas
WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.
superstar54/workgraph-collections
This repository contains a collection of workgraphs for various codes.
superstar54/ase-quantumespresso
ASE calculators for Quantum ESPRESSO
superstar54/aiida-bader
AiiDA plugin for Bader charge analysis
superstar54/aiida-workgraph
Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
superstar54/aiidalab-qe-hp
superstar54/aiidalab-qe
AiiDAlab App for Quantum ESPRESSO
superstar54/AEP
AiiDA enhancement proposals
superstar54/aiida-core
The official repository for the AiiDA code
superstar54/aiida-cp2k
The CP2K plugin for the AiiDA workflow and provenance engine.
superstar54/aiida-hyperqueue
AiiDA plugin for the HyperQueue metascheduler.
superstar54/aiida-mlip
machine learning interatomic potentials aiida plugin
superstar54/aiida-phonopy
Phonon for AiiDA
superstar54/aiida-QECpWorkChain
Automatic NVE simulation with Quantum Espresso and Aiida
superstar54/aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
superstar54/aiida-registry
Find plugins for AiiDA
superstar54/aiida-shell
AiiDA plugin that makes running shell commands easy.
superstar54/aiida-submission-controller
Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time
superstar54/aiida-wannier90
AiiDA plugin for the Wannier90 code
superstar54/aiidalab-demo-server
The k8s deployment repo for demo server on Azure (pure from z2jh)
superstar54/aiidalab-eln
superstar54/aiidalab-qe-vibroscopy
superstar54/aiidalab-registry
Central app registry for AiiDAlab
superstar54/aiidalab-widgets-base
Reusable widgets for AiiDAlab applications
superstar54/big-map-registry
Registry for BIG-MAP apps and codes. Find the apps
superstar54/fair-workflows-workshop
Tutorial files for the FAIR workflows workshop at Purdue University on 13/08 and 14/08 of 2024.
superstar54/plumpy
A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
superstar54/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
superstar54/weas-phonon