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    Open Drug Discovery Toolkit (ODDT)

    Open Drug Discovery Toolkit (ODDT)

    Modular and comprehensive toolkit for use in cheminformatics

    ...These extensions allow to use of toolkits at all its grace and some features may be backported from others to introduce missing functionalities. Most important and handy property of Molecule in ODDT are Numpy dictionaries containing most properties of supplied molecule. Some of them are straightforward, other require some calculation, ie. atom features. Dictionaries are provided for major entities of molecules.
    Downloads: 11 This Week
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