• Stars
    star
    1
  • Language
    Java
  • Created almost 7 years ago
  • Updated almost 3 years ago

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

More Repositories

1

pipelines

Containerised components for cheminformatics and computational chemistry
Python
35
star
2

docker-rdkit

Lightweight RDKit images for production deployment
Shell
33
star
3

openshift-jenkins-buildah-slave

A Jenkins CI/CD agent based on the Maven agent that contains buildah (plus other goodies)
13
star
4

squonk

Squonk platform and computational notebook
Java
8
star
5

docking-validation

Validation studies for docking related studies
Nextflow
8
star
6

standardize-molecule

Utilities for SMILES analysis
Python
5
star
7

virtual-screening

Virtual screening tools and Squonk2 jobs
Python
4
star
8

rdkit

RDkit build
Dockerfile
4
star
9

nextflow-pcluster

Nextflow AWS Parallel Cluster Configuration
Shell
4
star
10

trigger-ci-action

A GitHub Action to trigger CI build
Python
3
star
11

cookiecutter-ansible-kubernetes

A cookiecutter to create Kubernetes plays
Jinja
3
star
12

rdock_docker

Docker build for rDock
C++
3
star
13

dls-fragalysis-stack-kubernetes

Ansible playbooks and roles to deploy the Fragalysis Stack to Kubernetes
Jinja
3
star
14

rdkit_cartridge

CMake
2
star
15

react-sci-components

Resusable react components for scientific applications
TypeScript
2
star
16

ansible-galaxy-cloud

Ansible play and roles to orchestrate the graph-processing cloud instance
Python
2
star
17

trigger-awx-action

A GitHub Action that triggers execution of a named template on an AWX server
Shell
2
star
18

squonk2-data-manager-ui

Web UI for the Squonk Data Manager
TypeScript
2
star
19

squonk-react-mui-theme

Material UI theme used in Squonk's React applications
TypeScript
2
star
20

fragmentor

Fragment network build optimisation
Python
2
star
21

squonk2-data-manager-js-client

Generates a JS client and docs for the Squonk Data Manager API
2
star
22

fragnet

Fragment network tooling
Java
1
star
23

ansible-okd-gpu

Ansible playbooks to configure an OKD (OpenShift) server for GPU workloads
1
star
24

ansible-infrastructure

Ansible logic for Kubernetes infrastructure provisioning
Jinja
1
star
25

data-manager-job-template

Template repo for Data Manager Job implementations
Python
1
star
26

kubernetes-to-puml

A Python 3 utility that converts cluster objects to a PlantUML diagram.
Python
1
star
27

pipelines-obabel

Open Babel based pipelines
Python
1
star
28

docker-obabel

Dockerfile for Open Babel
Dockerfile
1
star
29

rdkit_java

RDKit with Java bindings
Java
1
star
30

docker_jupyter

1
star
31

camelish

Camel tools for chemistry and biology
Groovy
1
star
32

squonk2-openapi-js-client-generator

TypeScript client generator for OpenAPI files. GitHub Action to generate, build & publish a client with docs!
JavaScript
1
star
33

dls-fragalysis-stack-openshift

An OpenShift wrapper for Fragalysis Stack
Python
1
star
34

squonk2-account-server-js-client

Generates a JS client and docs for the Account Server API
1
star
35

xwiki_keycloak_sso

Single sign on for XWiki using Keycloak
Java
1
star