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
[](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)
<a href="https://github.com/igrigorik/ga-beacon"><img src="https://ga-beacon.appspot.com/UA-44788495-3/oddt/oddt"/></a>
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
[](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)
<a href="https://github.com/igrigorik/ga-beacon"><img src="https://ga-beacon.appspot.com/UA-44788495-3/oddt/oddt"/></a>
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
oddt-0.1.1.tar.gz
(163.4 kB
view hashes)
