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Name: Docking.org Team

Type: Organization

Bio: The UCSF DOCK / ZINC / systems pharmacology development team develops software and databases for ligand discovery.

Location: San Francisco, California

Blog: http://docking.org

Docking.org Team's Projects

aggregator-comparor icon aggregator-comparor

An example of a simple chemoinformatics-based website using Flask, SQLAlchemy, and RDAlchemy

cheminftools icon cheminftools

A collection of small scripts and utilities that would otherwise float around in other repositories

docktop icon docktop

Fetch top scoring poses from DOCK results!

fuse-rsync icon fuse-rsync

A FUSE filesystem that lets you mount remote rsync modules

ipython-hydra icon ipython-hydra

Set of scripts to automatically launch iptyhon notebooks for each user who hits the page.

oicr-zinc icon oicr-zinc

Exported files from ZINC for use in OICR ICGC DCC and Collaboratory

openfda icon openfda

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-nfs icon puppet-module-nfs

Puppet module for automagic set up of up nfs servers and clients. Storeconfigs is used for propogating configs to clients. Optional nfs4-support.

pychembl icon pychembl

python/SQLAlchemy interface for EBI's ChEMBL database

pydock3 icon pydock3

Python package wrapping the DOCK Fortran program and providing several tools built on top of it.

rdkit icon rdkit

The official sources for the RDKit library

smart-proxy icon smart-proxy

RESTful proxies for DNS, DHCP, TFTP, BMC and Puppet

smilite icon smilite

A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database

spack icon spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

starcluster icon starcluster

StarCluster is an open source cluster-computing toolkit for Amazon's Elastic Compute Cloud (EC2).

subdock icon subdock

sub-repository for SUBDOCK, so we can make it public

synt-on icon synt-on

Open-source tool for synthons-based library design.

zinc22-3d icon zinc22-3d

Repository for scripts relating to the dock3 ligand pipeline- the creation of db2 files.

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