13 projects
aiida-workgraph
Design flexible node-based workflow for AiiDA calculation.
workgraph-collections
Collections of node-based workflow created using aiida-workgraph.
node-graph
Create node-based workflow
aiida-bader
Collections of node-based workflow created using aiida-workgraph.
weas-widget
A widget to visualize and interact with atomistic structures in Jupyter Notebook.
ase-quantumespresso
ASE Calculators for Quantum ESPRESSO
qeapp-xps
A plugin for calculating X-ray Photoelectron Spectroscopy (XPS) spectra.
batoms
A Python package for creating, editing and rendering atoms and molecules structures using Blender.
scinode
Design computational workflow using nodes.
xespresso
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
batoms-api
Drawing and rendering beautiful atoms, molecules using Blender.
x3dase
Drawing and rendering atoms and molecules objects using X3DOM. X3dase can be used as a viewer for the molecule structure in the Jupyter notebook.
pyliterature
A Python web wrapper and text mining package for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so on.
