Docking.org Team's Projects
An example of a simple chemoinformatics-based website using Flask, SQLAlchemy, and RDAlchemy
A Mouse Image Server
A molecule shopping cart and ZINC-22 search tool
A collection of small scripts and utilities that would otherwise float around in other repositories
Fetch top scoring poses from DOCK results!
A FUSE filesystem that lets you mount remote rsync modules
Set of scripts to automatically launch iptyhon notebooks for each user who hits the page.
Exported files from ZINC for use in OICR ICGC DCC and Collaboratory
A registry of publicly available datasets on AWS
openFDA is a research project to provide open APIs, raw data downloads, documentation and examples, and a developer community for an important collection of FDA public datasets.
Puppet module for automagic set up of up nfs servers and clients. Storeconfigs is used for propogating configs to clients. Optional nfs4-support.
python/SQLAlchemy interface for EBI's ChEMBL database
Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
The official sources for the RDKit library
RESTful proxies for DNS, DHCP, TFTP, BMC and Puppet
A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
StarCluster is an open source cluster-computing toolkit for Amazon's Elastic Compute Cloud (EC2).
sub-repository for SUBDOCK, so we can make it public
Open-source tool for synthons-based library design.
Transportal
2d preprocessing scripts for zinc22
Repository for scripts relating to the dock3 ligand pipeline- the creation of db2 files.