Stars
Cleaner and Formatter for BibTeX files
doi2bibtex: Resolve DOIs and arXiv identifiers to formatted BibTeX entries
AiiDA plugin that makes running shell commands easy.
Tools for handling .upf (Unified Pseudopotential Format) files
Nonlinear CG methods for wave-function optimization in DFT
Scheduler for sub-node tasks for HPC systems with batch scheduling
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
Domain specific library for electronic structure calculations
The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
Create beautiful, publication-quality books and documents from computational content.
Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time
Magnificent app which corrects your previous console command.
Python composable command line interface toolkit
GenSON is a powerful, user-friendly JSON Schema generator built in Python.
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
Add a "copy" button to code blocks in Sphinx
Browser extension that simplifies the GitHub interface and adds useful features
Python file chooser widget for use in Jupyter/IPython in conjunction with ipywidgets
atomate is a powerful software for computational materials science and contains pre-built workflows.
Basic Python libraries used by UGent's HPC group
Google Chrome, Firefox, and Thunderbird extension that lets you write email in Markdown and render it before sending.
The Fireworks Workflow Management Repo.