Repository chemicaltoolbox_library_hole_filling_workflow
Owner: bgruening
Synopsis: Given one library, it extends all molecules by similar molecules of an other library and thus fill gaps in an automatic manner.
Given one library, it extends all molecules by similar molecules of an other library and thus fill gaps in an automatic manner. This workflow is part of case study demonstrating the capability of the chemicaltoolbox. For further information please have a look at the chemicaltoolbox: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox

Repository-Maintainer: Björn Grüning
Repository-Development: https://github.com/bgruening/galaxytools/tree/master/workflows/chemicaltoolbox
Type: unrestricted
Revision: 0:c326f1405473
This revision can be installed: True
Times cloned / installed: 285
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Categories
Computational chemistry - Tools for use in computational chemistry