Pinned Repositories
chembience
A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
appdock
Superseded by chembience repository
cdk
The Chemistry Development Kit
chembience-home
Repository of the Chembience Home page
chembience-jupyter-datascience
chembience-wagtail-cms
Wagtail CMS preconfigured on a Chembience Django container
docker-cactvs
inchiresolver
DEPRECATED - Official InChI Resolver prototype development, new developments see https://github.com/inchiresolver/inchiresolver
pychembl
python/SQLAlchemy interface for EBI's ChEMBL database
markussitzmann's Repositories
markussitzmann/pychembl
python/SQLAlchemy interface for EBI's ChEMBL database
markussitzmann/inchiresolver
DEPRECATED - Official InChI Resolver prototype development, new developments see https://github.com/inchiresolver/inchiresolver
markussitzmann/chembience-jupyter-datascience
markussitzmann/docker-cactvs
markussitzmann/appdock
Superseded by chembience repository
markussitzmann/cdk
The Chemistry Development Kit
markussitzmann/chembience-home
Repository of the Chembience Home page
markussitzmann/chembience-wagtail-cms
Wagtail CMS preconfigured on a Chembience Django container
markussitzmann/cirx
CIR extended
markussitzmann/docker-postgres-rdkit
PostgreSQL Docker image with RDKit cartridge
markussitzmann/docker-postgresql
Dockerfile to build a PostgreSQL container image which can be linked to other containers.
markussitzmann/inchiresolvercms
CMS for the InChI Resolver home page
markussitzmann/molhash
Create molecular hashes
markussitzmann/MolVS
Molecule Validation and Standardization
markussitzmann/nginx-proxy
Automated nginx proxy for Docker containers using docker-gen
markussitzmann/protobuf
Protocol Buffers - Google's data interchange format
markussitzmann/webapps
DEPRECATED - has been superseded by AppDock