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f0604436

Commit f0604436 authored 11 months ago by Studer Gabriel

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ligand scoring: add lddt pli to dissected scoring classes

parent 18da8627

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Changes 5

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modules/mol/alg/pymod/CMakeLists.txt 1 addition, 0 deletions

modules/mol/alg/pymod/CMakeLists.txt
modules/mol/alg/pymod/ligand_scoring_base.py 31 additions, 28 deletions

modules/mol/alg/pymod/ligand_scoring_base.py
modules/mol/alg/pymod/ligand_scoring_lddtpli.py 834 additions, 0 deletions

modules/mol/alg/pymod/ligand_scoring_lddtpli.py
modules/mol/alg/pymod/ligand_scoring_scrmsd.py 5 additions, 5 deletions

modules/mol/alg/pymod/ligand_scoring_scrmsd.py
modules/mol/alg/tests/test_ligand_scoring_fancy.py 124 additions, 0 deletions

modules/mol/alg/tests/test_ligand_scoring_fancy.py

with 995 additions and 33 deletions

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