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Repository xchem_transfs_scoring
Name: xchem_transfs_scoring
Owner: bgruening
Synopsis: XChem TransFS pose scoring
This tool performs scoring of docked ligand poses using deep learning.
It uses the gnina and libmolgrid toolkits to perform the scoring to generate
a prediction for how good the pose is.
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/transfs
Link to this repository revision: https://toolshed.g2.bx.psu.edu/view/bgruening/xchem_transfs_scoring/8d9c8ba2ec86
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/xchem_transfs_scoring
Type: unrestricted
Revision: 1:8d9c8ba2ec86
This revision can be installed: True
Times cloned / installed: 130

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
using deep learning 0.3.0 16.01
using deep learning 0.2.0 16.01

Categories
Computational chemistry - Tools for use in computational chemistry