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/docking-validation
Validation studies for docking related studies
InformaticsMatters/nextflow-pcluster
Nextflow AWS Parallel Cluster Configuration
InformaticsMatters/rdock_docker
Docker build for rDock
InformaticsMatters/ansible-galaxy-cloud
Ansible play and roles to orchestrate the graph-processing cloud instance
InformaticsMatters/react-sci-components
Resusable react components for scientific applications
InformaticsMatters/ansible-okd-gpu
Ansible playbooks to configure an OKD (OpenShift) server for GPU workloads
InformaticsMatters/docker-tomcat
InformaticsMatters/pipelines-utils
Common utilities for all pipeline projects
InformaticsMatters/ansible-bastion
An Ansible project for the formation of a bastion compute instance
InformaticsMatters/ansible-role-awx-composer
A Role to Compose (configure) an AWX server
InformaticsMatters/ansible-role-infrastructure-data
An Ansible Role to configure the infrastructure database
InformaticsMatters/bandr-ansible
Ansible/AWX playbooks to support backup and recovery deployment
InformaticsMatters/code-repository-development-stages
InformaticsMatters/crone
A cron-driven rclone utility image
InformaticsMatters/data-manager-file-conversion-jobs
Data Manager job definitions for file conversions
InformaticsMatters/docker-fragnet-test
A pre-configured graph (neo4j) database for franget test purposes
InformaticsMatters/docker-mysql-to-pg-migrator-ansible
A kubernetes-compliant Ansible playbook and Role for the execution of the MySQL to PostgreSQL migrator
InformaticsMatters/docker-neo4j
A specialised build of neo4j used by a number of projects
InformaticsMatters/docker-vina
InformaticsMatters/fragalysis-api
A python API for fragalysis (fragalysis.diamond.ac.uk)
InformaticsMatters/fragmentor-ansible
Ansible playbooks for kubernetes deployment of the fragmentor
InformaticsMatters/galaxy-patch
An Ansible playbook to patch our Galaxy cluster
InformaticsMatters/jenkins-utils
A python library for the configuration of Jenkins
InformaticsMatters/openapi-validator
InformaticsMatters/pipelines-utils-rdkit
Utilities for RDKit-based pipelines
InformaticsMatters/pysquonk
InformaticsMatters/sdf-format-support
A DataTier Format-Support Implementation for SDF
InformaticsMatters/smi-format-support
A DataTier Format-Support Implementation for CSV
InformaticsMatters/squonk2-cdk
CDK jobs
InformaticsMatters/squonk2-data-manager-job-callback-server
A basic Data Manager Job Callback Server (Acts as a dummy receiver of callbacks)