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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

Project details


Release history Release notifications

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2.2.0

This version
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2.1.0

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2.0.0

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1.3.0

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1.2.0

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1.1.1

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1.1.0

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1.0.0

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Filename, size & hash SHA256 hash help File type Python version Upload date
smilite-2.1.0.tar.gz (29.7 kB) Copy SHA256 hash SHA256 Source None Mar 26, 2014

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