Repository package_rdkit_2012_12
Name: package_rdkit_2012_12
Owner: iuc
Synopsis: Contains a tool dependency definition that downloads and compiles version 2012-12 of the RDKit cheminformatics and machine-learning package.
A collection of cheminformatics and machine-learning software written in C++ and Python.

The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java.

Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.
http://www.rdkit.org/

Repository-Maintainer: Björn Grüning
Repository-Development: https://github.com/bgruening/galaxytools/tree/master/orphan_tool_dependencies
Link to this repository: https://toolshed.g2.bx.psu.edu/view/iuc/package_rdkit_2012_12/842dd2fa4ace
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/iuc/package_rdkit_2012_12
Type: tool_dependency_definition
Revision: 2:842dd2fa4ace
This revision can be installed: True
Times cloned / installed: 783
Dependencies of this repository

Repository dependencies - installation of these additional repositories is required
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)
Repository package_bzlib_1_0 revision af4887e1f595 owned by iuc (prior install required)

Tool dependencies - repository tools require handling of these dependencies
Name Version Type
boost 1.55.0 package
numpy 1.7.1 package
rdkit 2012_12_1 package

Categories
Tool Dependency Packages - Repositories that contain third-party tool dependency package installation definitions