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Open Drug Discovery Toolkit

Project description

# Open Drug Discovery Toolkit

Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc. ODDT is written in Python, and make extensive use of Numpy/Scipy

[![Documentation Status](https://readthedocs.org/projects/oddt/badge/?version=latest)](http://oddt.readthedocs.org/en/latest/)


### Requrements
* Python 2.7.X
* OpenBabel (2.3.2+) or/and RDKit (2012.03)
* Numpy (1.6.2+)
* Scipy (0.10+)
* Sklearn (0.11+)
* ffnet (0.7.1+) only for neural network functionality.

### Install
When all requirements are met, then installation process is simple
> python setup.py install

### Documentation
Automatic documentation for ODDT can be build
> cd docs

> make html

> make latexpdf

### License
ODDT is released under permissive [3-clause BSD license](./LICENSE)

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