markussitzmann

Markus Sitzmann's repositories

pychembl

python/SQLAlchemy interface for EBI's ChEMBL database

Language:Python6 20

inchiresolver

DEPRECATED - Official InChI Resolver prototype development, new developments see https://github.com/inchiresolver/inchiresolver

Language:Python2 30

chembience-jupyter-datascience

Language:Python1 40

docker-cactvs

Language:Tcl1 20

appdock

Superseded by chembience repository

Language:PythonBSD-3-Clause020

cdk

The Chemistry Development Kit

Language:JavaLGPL-2.1010

chembience-home

Repository of the Chembience Home page

Language:CSSBSD-3-Clause010

chembience-wagtail-cms

Wagtail CMS preconfigured on a Chembience Django container

Language:PythonBSD-3-Clause000

cirx

CIR extended

Language:HTML000

docker-postgres-rdkit

PostgreSQL Docker image with RDKit cartridge

Language:DockerfileMIT020

docker-postgresql

Dockerfile to build a PostgreSQL container image which can be linked to other containers.

Language:ShellMIT000

inchiresolvercms

CMS for the InChI Resolver home page

Language:CSS03 2

molhash

Create molecular hashes

Language:C++NOASSERTION010

MolVS

Molecule Validation and Standardization

Language:PythonMIT030

nginx-proxy

Automated nginx proxy for Docker containers using docker-gen

Language:PythonMIT000

protobuf

Protocol Buffers - Google's data interchange format

Language:C++NOASSERTION010

webapps

DEPRECATED - has been superseded by AppDock

Language:CSSMIT000