Search Results for "grace"
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Showing 2 open source projects for "grace"
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QtGrace
native Grace for Windows, Linux and Mac OS X based on Qt
QtGrace is a version of Grace based on the Qt-SDK by The Qt Project www.qt.io. QtGrace/Grace is a program to display or plot data, analyze data and prepare it for printing. Using QtGrace is to run Grace natively on Windows, Mac OS X and Linux. -
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Open Drug Discovery Toolkit (ODDT)
Modular and comprehensive toolkit for use in cheminformatics
...In contrast to its predecessors, which were aimed to have minimalistic API, ODDT introduces extended methods and additional handles. 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.
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