reskyner Goto Github PK

antidb

Antibody Database schema for interview

brutereg

ccp4_docker

code-review-guide

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

fabled-apollo

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.

gnina

A deep learning framework for molecular docking

in-60-seconds

GitPitch In 60 Seconds - A Very Short Tutorial

iwomi_tutorials

DECIMER Extraction Hands on tutorial @ IWOMI 2023

jupyter_mpro

Jupyter notebooks for analysing the Mpo fragment screen virtual screening data

learning-ligand

reproduced from https://academic.oup.com/bioinformatics/article-abstract/36/3/758/5554651 and resources

mdtraj

An open library for the analysis of molecular dynamics trajectories

oxford-doing-more-js

Oxford • Doing More With Javascript

pandda

papyrus-scripts

pipeline

proasis

Scripts for interfacing Proasis with diamond inc. automation

pubchempy

Python wrapper for the PubChem PUG REST API.

razi

A cheminformatics extension for the SQLAlchemy database toolkit.

redock-example

example of redocking scripts

xchem_analysis

xchemexplorer

xchemluigi

Luigi pipeline for automatic generation of follow-up compounds at XChem