smilite is a Python module to download and analyze SMILE strings
Project description
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
(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
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