Repository revision
1:8d9c8ba2ec86

Repository 'xchem_transfs_scoring'
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/xchem_transfs_scoring

XChem TransFS pose scoring tool metadata
Miscellaneous
using deep learning
xchem_transfs_scoring
toolshed.g2.bx.psu.edu/repos/bgruening/xchem_transfs_scoring/xchem_transfs_scoring/0.3.0
0.3.0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/xchem_transfs_scoring/xchem_transfs_scoring/0.2.0
toolshed.g2.bx.psu.edu/repos/bgruening/xchem_transfs_scoring/xchem_transfs_scoring/0.3.0 (this tool)
toolshed.g2.bx.psu.edu/repos/bgruening/xchem_transfs_scoring/xchem_transfs_scoring/0.2.0
xchem_transfs_scoring
Requirements (dependencies defined in the <requirements> tag set)
No requirements defined
Functional tests
name inputs outputs required files
Test-1 distance: 4.0
receptor: receptor.pdb
ligands: ligands.sdf
mock: --mock
attributes: name
receptor.pdb
ligands.sdf
name