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/rdkit-compose
A compose implementation of the rdkit server
InformaticsMatters/xwiki_keycloak_sso
Single sign on for XWiki using Keycloak
InformaticsMatters/k8s-deploy
k8s deploy all in one
InformaticsMatters/rdkit_java_examples
Example code for using RDKit from Java
InformaticsMatters/dummy_docker
Simpel test for automated docker build