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/squonk
Squonk platform and computational notebook
InformaticsMatters/standardize-molecule
Utilities for SMILES analysis
InformaticsMatters/dls-fragalysis-stack-openshift
An OpenShift wrapper for Fragalysis Stack
InformaticsMatters/docker-obabel
Dockerfile for Open Babel
InformaticsMatters/docker_jupyter
InformaticsMatters/pipelines-obabel
Open Babel based pipelines
InformaticsMatters/clubhouse-exporter-ansible
An AWX-compliant Playbook and Role to export Clubhouse data
InformaticsMatters/dls-deep
Images for gnina/caffe GPU workloads
InformaticsMatters/docker-clubhouse-exporter
A container that exports Clubhouse data
InformaticsMatters/docker-mysql-to-pg-migrator
A container image to migrate exported MySQL data into a PostgreSQL database
InformaticsMatters/docker-pipelines-tester
A base image for pipeline testing
InformaticsMatters/docker-postgres-dump-loader
A simple PostgreSQL client image to load DB dumps
InformaticsMatters/docker-sql-client
Code for a simple SQL client container image
InformaticsMatters/docker-squonk-groovy
A container image to run groovy code from Squonk
InformaticsMatters/docker_nextflow
Container for running Nextflow (http://nextflow.io)
InformaticsMatters/fair-molecules
Molecular hierarchy according to FAIR principles
InformaticsMatters/format-support-template
A template repository for DataTier format-support implementations
InformaticsMatters/fragalysis
A repo for analysis of ensembles of protein-ligand complexes
InformaticsMatters/fragalysis-nery
A service providing fragalysis-like queries to neo4j
InformaticsMatters/jsviztools
Javascript Components for visualisation of scientific data
InformaticsMatters/nextflow-k8s
A (very simple) nextflow-in-kubernetes example repo
InformaticsMatters/okd-orchestrator
An Orchestrator for RedHat's OpenShift/OKD container runtime
InformaticsMatters/pdb-format-support
PDB file support for the DataTier Manager service
InformaticsMatters/pipeline-tester-action
A composite run steps action that runs our PipelineTester (using groovy)
InformaticsMatters/pipelines-busybox
A flexibly 'dummy' pipeline for pipeline unit/functional testing
InformaticsMatters/portal
lac portal
InformaticsMatters/react-sci-components-ansible
Ansible playbook and role for the im-mini-apps deployment
InformaticsMatters/tools-galaxyp
Galaxy Tool Shed repositories maintained and developed by the GalaxyP community
InformaticsMatters/trigger-awx
AWX Job execution utility based on the Tower CLI
InformaticsMatters/trigger-travis
Trigger a Travis job