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smilite 2.1.0

smilite is a Python module to download and analyze SMILE strings

Package Documentation

smilite is a Python module to download and analyze SMILE strings (Simplified Molecular-Input Line-entry System) of chemical compounds from ZINC (a free database of commercially-available compounds for virtual screening, http://zinc.docking.org). Now supports both Python 3.x and Python 2.x.

Contact

If you have any questions or comments about smilite, please feel free to contact me via eMail: se.raschka@gmail.com or Twitter: https://twitter.com/rasbt

 
File Type Py Version Uploaded on Size
smilite-2.1.0.tar.gz (md5) Source 2014-03-26 28KB
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