Rachael Skyner's repositories
learning-ligand
reproduced from https://academic.oup.com/bioinformatics/article-abstract/36/3/758/5554651 and resources
diamond_notifications
Automated notifications for my user account at Diamond
dls-fragalysis-stack-kubernetes
Ansible playbooks and roles to deploy the Fragalysis Stack to Kubernetes
docker-travis-example
Example code for Continuous Integration with Docker and TravisCI
fragalysis-backend
Django backend loader and Restful API for fragalysis server
fragalysis-frontend
The React, Redux frontend built by webpack
fragalysis-loader
Django backend loader for fragalysis app
fragalysis-stack
Docker-compose stack for running fragalysis application
gitpitch
The Markdown Presentation Service For Everyone on GitHub, GitLab, Bitbucket, GitBucket, Gitea, and Gogs.
in-60-seconds
GitPitch In 60 Seconds - A Very Short Tutorial
jupyter_mpro
Jupyter notebooks for analysing the Mpo fragment screen virtual screening data
mdtraj
An open library for the analysis of molecular dynamics trajectories
oxford-doing-more-js
Oxford • Doing More With Javascript
PubChemPy
Python wrapper for the PubChem PUG REST API.
razi
A cheminformatics extension for the SQLAlchemy database toolkit.
redock-example
example of redocking scripts
XChemLuigi
Luigi pipeline for automatic generation of follow-up compounds at XChem