Pinned Repositories
docker-rdkit
Lightweight RDKit images for production deployment
docking-validation
Validation studies for docking related studies
nextflow-pcluster
Nextflow AWS Parallel Cluster Configuration
openshift-jenkins-buildah-slave
A Jenkins CI/CD agent based on the Maven agent that contains buildah (plus other goodies)
pipelines
Containerised components for cheminformatics and computational chemistry
pipelines-utils
Common utilities for all pipeline projects
rdkit
RDkit build
squonk
Squonk platform and computational notebook
standardize-molecule
Utilities for SMILES analysis
virtual-screening
Virtual screening tools and Squonk2 jobs
Informatics Matters Ltd's Repositories
InformaticsMatters/pipelines
Containerised components for cheminformatics and computational chemistry
InformaticsMatters/nextflow-pcluster
Nextflow AWS Parallel Cluster Configuration
InformaticsMatters/cookiecutter-ansible-kubernetes
A cookiecutter to create Kubernetes plays
InformaticsMatters/squonk-react-mui-theme
Material UI theme used in Squonk's React applications
InformaticsMatters/trigger-awx-action
A GitHub Action that triggers execution of a named template on an AWX server
InformaticsMatters/data-manager-job-template
Template repo for Data Manager Job implementations
InformaticsMatters/kubernetes-to-puml
A Python 3 utility that converts cluster objects to a PlantUML diagram.
InformaticsMatters/mini-apps-pose-viewer
Pose viewer
InformaticsMatters/ansible-gizmos
Generally useful Ansible playbooks (and roles)
InformaticsMatters/ansible-role-cert-manager
A basic ansible role to deploy the Kubernetes cert-manager
InformaticsMatters/ansible-role-infrastructure-user
An Ansible kubernetes Role to simplify the addition of users to the Informatics Matters infrastructure Keycloak
InformaticsMatters/discourse
InformaticsMatters/discourse-ansible
An AWX-compliant deployment of Discourse
InformaticsMatters/docker-neo4j
A specialised build of neo4j used by a number of projects
InformaticsMatters/docker-neo4j-ansible
Ansible Playbooks (and Roles) for docker-neo4j
InformaticsMatters/docker-volume-replicator
A small image that replicates a (kubernetes) volume
InformaticsMatters/fragnet-ansible
Ansible Playbooks (and Roles) to support fragnet
InformaticsMatters/lab-xchemalign
InformaticsMatters/nginx-ansible
A simple Kubernetes (AWX-compliant) deployment of nginx
InformaticsMatters/openapi-validator-docker
Docker image for IBM's OpenAPI validator
InformaticsMatters/postgresql-ansible
A (simple) PostgreSQL deployment
InformaticsMatters/sdf-parser
Converts a sd file into a key value typescript object
InformaticsMatters/squonk-ansible
Ansible playbooks and roles to deploy Squonk (to Kubernetes)
InformaticsMatters/squonk2-admin
An admin TUI for Squonk2 environments
InformaticsMatters/squonk2-data-manager-job-operator
An arbitrary Job-execution operator for the Data Manager API
InformaticsMatters/squonk2-data-manager-jupyter-operator
A Kubernetes operator for Jupyer
InformaticsMatters/squonk2-deck
A textual summary of Squonk2 environments
InformaticsMatters/squonk2-fragmenstein
InformaticsMatters/vercel-auth-test
A quick test repo to get nextjs auth working better on Vercel
InformaticsMatters/vite-single-file