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schwede
openstructure
Commits
8be12ac0
Commit
8be12ac0
authored
11 months ago
by
Studer Gabriel
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ligand scoring: add dict-style access of scoring result in refactored classes
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241466d9
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modules/mol/alg/pymod/ligand_scoring_base.py
+66
-19
66 additions, 19 deletions
modules/mol/alg/pymod/ligand_scoring_base.py
modules/mol/alg/tests/test_ligand_scoring_fancy.py
+83
-2
83 additions, 2 deletions
modules/mol/alg/tests/test_ligand_scoring_fancy.py
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149 additions
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21 deletions
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