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caf9e364

Commit caf9e364 authored 10 months ago by Studer Gabriel

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ligand scoring: define human readable error states

parent 2d0ef5da

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modules/mol/alg/pymod/ligand_scoring_base.py 50 additions, 28 deletions

modules/mol/alg/pymod/ligand_scoring_base.py
modules/mol/alg/pymod/ligand_scoring_lddtpli.py 7 additions, 6 deletions

modules/mol/alg/pymod/ligand_scoring_lddtpli.py
modules/mol/alg/pymod/ligand_scoring_scrmsd.py 13 additions, 10 deletions

modules/mol/alg/pymod/ligand_scoring_scrmsd.py
modules/mol/alg/tests/test_ligand_scoring_fancy.py 2 additions, 2 deletions

modules/mol/alg/tests/test_ligand_scoring_fancy.py

with 72 additions and 46 deletions

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