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pipelines
Containerised components for cheminformatics and computational chemistrydocker-rdkit
Lightweight RDKit images for production deploymentopenshift-jenkins-buildah-slave
A Jenkins CI/CD agent based on the Maven agent that contains buildah (plus other goodies)squonk
Squonk platform and computational notebookdocking-validation
Validation studies for docking related studiesstandardize-molecule
Utilities for SMILES analysisvirtual-screening
Virtual screening tools and Squonk2 jobsrdkit
RDkit buildnextflow-pcluster
Nextflow AWS Parallel Cluster Configurationtrigger-ci-action
A GitHub Action to trigger CI buildcookiecutter-ansible-kubernetes
A cookiecutter to create Kubernetes playsdls-fragalysis-stack-kubernetes
Ansible playbooks and roles to deploy the Fragalysis Stack to Kubernetesrdkit_cartridge
react-sci-components
Resusable react components for scientific applicationsansible-galaxy-cloud
Ansible play and roles to orchestrate the graph-processing cloud instancetrigger-awx-action
A GitHub Action that triggers execution of a named template on an AWX serversquonk2-data-manager-ui
Web UI for the Squonk Data Managersquonk-react-mui-theme
Material UI theme used in Squonk's React applicationsfragmentor
Fragment network build optimisationsquonk2-data-manager-js-client
Generates a JS client and docs for the Squonk Data Manager APIfragnet
Fragment network toolingansible-okd-gpu
Ansible playbooks to configure an OKD (OpenShift) server for GPU workloadsansible-infrastructure
Ansible logic for Kubernetes infrastructure provisioningdata-manager-job-template
Template repo for Data Manager Job implementationskubernetes-to-puml
A Python 3 utility that converts cluster objects to a PlantUML diagram.pipelines-obabel
Open Babel based pipelinesdocker-obabel
Dockerfile for Open Babelrdkit_java
RDKit with Java bindingsdocker-tomcat
docker_jupyter
camelish
Camel tools for chemistry and biologysquonk2-openapi-js-client-generator
TypeScript client generator for OpenAPI files. GitHub Action to generate, build & publish a client with docs!dls-fragalysis-stack-openshift
An OpenShift wrapper for Fragalysis Stacksquonk2-account-server-js-client
Generates a JS client and docs for the Account Server APIxwiki_keycloak_sso
Single sign on for XWiki using KeycloakLove Open Source and this site? Check out how you can help us