Informatics Matters Ltd's repositories
docker-rdkit
Lightweight RDKit images for production deployment
virtual-screening
Virtual screening tools and Squonk2 jobs
dls-fragalysis-stack-kubernetes
Ansible playbooks and roles to deploy the Fragalysis Stack to Kubernetes
squonk2-data-manager-js-client
Generates a JS client and docs for the Squonk Data Manager API
squonk2-data-manager-ui
Web UI for the Squonk Data Manager
ansible-infrastructure
Ansible logic for Kubernetes infrastructure provisioning
squonk2-account-server-js-client
Generates a JS client and docs for the Account Server API
squonk2-openapi-js-client-generator
TypeScript client generator for OpenAPI files. GitHub Action to generate, build & publish a client with docs!
docker-keycloak
A specialised keycloak container image
fragnet
Fragment network tooling
fragnet-ansible
Ansible Playbooks (and Roles) to support fragnet
public-models
This repository contains the code that is relevant to the training of the Jaqpot public models. These are 22 ML/AI models, trained on the data of the Therapeutics Data Commons ADME-Tox (ADMET) Benchmark group and are suitable for small molecule drug discovery.
RJSF-tester
RJSF with modified playground that parses YAML
sdf-parser
Converts a sd file into a key value typescript object
squonk-frontend
Monorepo for all Squonk (v2) apps and libraries
squonk2-data-manager-job-decoder
Provides decoding capabilities for Job definitions
squonk2-data-manager-job-operator
An arbitrary Job-execution operator for the Data Manager API
squonk2-data-manager-job-tester
A test utility for Data Manager Job repositories
squonk2-data-manager-job-utilities
Python-based utilities for Data Manager Jobs
squonk2-data-manager-jupyter-operator
A Kubernetes operator for Jupyer
squonk2-data-manager-metadata
A metadata package for the Data Tier Data Manager service
squonk2-data-manager-ui-ansible
Ansible (AWX) Kubernetes deployment scripts for the Mini-Apps Data-Tier UI
squonk2-protobuf
Informatics Matters cross-product protocol buffers
squonk2-python-client
Data Manager API Utilities
squonk2-smartcyp
Cytochrome P450 predictions using SmartCYP