Chris Sewell's Projects
A conda-smithy repository for aiida-wannier90.
The official repository for the AiiDA code
A demonstration aiida-plugin package
Sets up the python environment found on the AiiDAlab.
AiiDAlab App for Quantum ESPRESSO
Reusable widgets for AiiDAlab applications
Integration SQLAlchemy in Django projects for effective query building purposes
A database migrations tool for SQLAlchemy.
Ansible is a radically simple IT automation platform that makes your applications and systems easier to deploy and maintain. Automate everything from code deployment to network configuration to cloud management, in a language that approaches plain English, using SSH, with no agents to install on remote systems. https://docs.ansible.com.
ansible collection for installing conda/mamba and handling environments
An ansible role that creates an AiiDA computer.
A conda-smithy repository for archive-path.
Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
A package for running multiple executable scripts on both local and remote hosts, configured using a modern standard YAML file
A package to convert between a latex bib file and a tex file containing glossaries entries
A conda-smithy repository for castepinput.
Parsers and algorithms for computational chemistry logfiles
The chemistry library you were waiting for
The new generation molecular viewer for IPython notebook
Website
for hosting web pages
A Process & Socket Manager built with zmq
A conda-smithy repository for circus.
Python composable command line interface toolkit
Add or enhance bash, fish, zsh and powershell completion in Click
A conda-smithy repository for click-completion.
OS-agnostic, system-level binary package manager and ecosystem