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Docking.org Team (docking-org)

Docking.org Team

docking-org

Geek Repo

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

Location:San Francisco, California

Home Page:http://docking.org

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Docking.org Team's repositories

cartblanche22

A molecule shopping cart and ZINC-22 search tool

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AMIS

A Mouse Image Server

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pydock3

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

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zinc22-3d

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

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dude-z-benchmark

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DUDEZ

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build-3d-tools

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transportal

Transportal

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SUBDOCK

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

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zinc22-3d-submit

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Advisor-Batch-Query-Python-Script

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zinc22-2d

2d preprocessing scripts for zinc22

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spack

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

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docktop

Fetch top scoring poses from DOCK results!

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ChemInfTools

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

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Synt-On

Open-source tool for synthons-based library design.

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ZINC21-Tools

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open-data-registry

A registry of publicly available datasets on AWS

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OICR-ZINC

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

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rdkit

The official sources for the RDKit library

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StarCluster

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

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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.

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aggregator-comparor

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

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ipython-hydra

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

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smilite

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

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smart-proxy

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

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fuse-rsync

A FUSE filesystem that lets you mount remote rsync modules

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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.

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pychembl

python/SQLAlchemy interface for EBI's ChEMBL database

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