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/docker-rdkit
Lightweight RDKit images for production deployment
InformaticsMatters/virtual-screening
Virtual screening tools and Squonk2 jobs
InformaticsMatters/fragmentor
Fragment network build optimisation
InformaticsMatters/squonk2-data-manager-js-client
Generates a JS client and docs for the Squonk Data Manager API
InformaticsMatters/squonk2-data-manager-ui
Web UI for the Squonk Data Manager
InformaticsMatters/trigger-awx-action
A GitHub Action that triggers execution of a named template on an AWX server
InformaticsMatters/ansible-infrastructure
Ansible logic for Kubernetes infrastructure provisioning
InformaticsMatters/data-manager-job-template
Template repo for Data Manager Job implementations
InformaticsMatters/squonk2-account-server-js-client
Generates a JS client and docs for the Account Server API
InformaticsMatters/squonk2-openapi-js-client-generator
TypeScript client generator for OpenAPI files. GitHub Action to generate, build & publish a client with docs!
InformaticsMatters/bandr
(PostgreSQL) Backup and recovery container images (OpenShift)
InformaticsMatters/bandr-ansible
Ansible/AWX playbooks to support backup and recovery deployment
InformaticsMatters/discourse-ansible
An AWX-compliant deployment of Discourse
InformaticsMatters/docker-keycloak
A specialised keycloak container image
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/fragmentor-k8s-orchestration
Ansible playbooks for kubernetes deployment of the fragmentor
InformaticsMatters/fragnet-ansible
Ansible Playbooks (and Roles) to support fragnet
InformaticsMatters/postgresql-ansible
A (simple) PostgreSQL deployment
InformaticsMatters/squonk-ansible
Ansible playbooks and roles to deploy Squonk (to Kubernetes)
InformaticsMatters/squonk2-data-manager-job-decoder
Provides decoding capabilities for Job definitions
InformaticsMatters/squonk2-data-manager-job-operator
An arbitrary Job-execution operator for the Data Manager API
InformaticsMatters/squonk2-data-manager-job-tester
A test utility for Data Manager Job repositories
InformaticsMatters/squonk2-data-manager-jupyter-operator
A Kubernetes operator for Jupyer
InformaticsMatters/squonk2-data-manager-workflow-engine
The Schema and Decoder for Data Manager Workflows
InformaticsMatters/squonk2-job-image-tag-checker-action
A GitHub Action to check Squonk2 Job container versions
InformaticsMatters/squonk2-protobuf
Informatics Matters cross-product protocol buffers
InformaticsMatters/squonk2-python-cl-tools
InformaticsMatters/squonk2-python-client
Data Manager API Utilities
InformaticsMatters/trigger-awx
AWX Job execution utility based on the Tower CLI