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/openshift-jenkins-buildah-slave
A Jenkins CI/CD agent based on the Maven agent that contains buildah (plus other goodies)
InformaticsMatters/rdkit
RDkit build
InformaticsMatters/rdkit_cartridge
InformaticsMatters/rdkit_java
RDKit with Java bindings
InformaticsMatters/lac
ServiceProeprtyDescriptor
InformaticsMatters/blend4j
blend4j is a JVM partial reimplementation of the Python library bioblend for interacting with Galaxy, CloudMan, and BioCloudCentral.
InformaticsMatters/docker-miniconda
InformaticsMatters/docker-rdkit-jupyter
InformaticsMatters/docker-squonk-groovy
A container image to run groovy code from Squonk
InformaticsMatters/docker_aws_client
Dockerfile for Centos image containing AWS command line tools
InformaticsMatters/fair-molecules
Molecular hierarchy according to FAIR principles
InformaticsMatters/galaxy_bioblend
InformaticsMatters/groovy_docker
Docker image for running Groovy
InformaticsMatters/jchem-demo-project
Demo project showing how to set up JChem lib from gradle
InformaticsMatters/nextflow-kube
InformaticsMatters/obabel_docker
Docker build for OpenBabel
InformaticsMatters/openjdk_docker
Open JDK image that includes the Docker engine binaries
InformaticsMatters/openshift-acme
ACME Controller for OpenShift and Kubernetes Cluster. (Supports e.g. Let's Encrypt)
InformaticsMatters/openshift-jenkins-python-slave
An OpenShift Jenkins agent image for Python
InformaticsMatters/openshift-jenkins-python3-slave
An OpenShift Jenkins slave agent for Python 3
InformaticsMatters/operator-lazar
An experimental operator for the lazar predictive toxicology service
InformaticsMatters/pipelines-busybox
A flexibly 'dummy' pipeline for pipeline unit/functional testing
InformaticsMatters/pli_docker
InformaticsMatters/presentation-terraform
An MDP-based brief presentation of Terraform
InformaticsMatters/r-roc
R with ROCR packages
InformaticsMatters/rdkit_debian_base
Base Debian image for RDKit images
InformaticsMatters/rdkit_java_tomcat
InformaticsMatters/rdkit_nextflow
RDKit Java with Nextflow added
InformaticsMatters/simple-jchem
Example Gradle project for JChem
InformaticsMatters/squonk-docs
Basic Squonk documentation for a customer site