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0946c7e4

"README.md" did not exist on "f30f08a9f87e9c49fa62a40821f2983de9ff3b3f"

Verified Commit 0946c7e4 authored 1 year ago by Xavier Robin

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fix: SCHWED-6059 consider coverage in assignment

parent fc86215b

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modules/mol/alg/pymod/ligand_scoring.py 104 additions, 33 deletions

modules/mol/alg/pymod/ligand_scoring.py
modules/mol/alg/tests/test_ligand_scoring.py 49 additions, 0 deletions

modules/mol/alg/tests/test_ligand_scoring.py
modules/mol/alg/tests/testfiles/6jyf_RET_pred.sdf 61 additions, 0 deletions

modules/mol/alg/tests/testfiles/6jyf_RET_pred.sdf
modules/mol/alg/tests/testfiles/6jyf_RET_pred_complete.sdf 63 additions, 0 deletions

modules/mol/alg/tests/testfiles/6jyf_RET_pred_complete.sdf
modules/mol/alg/tests/testfiles/6jyf_mdl.pdb 4643 additions, 0 deletions

modules/mol/alg/tests/testfiles/6jyf_mdl.pdb
modules/mol/alg/tests/testfiles/6jyf_trg.cif 4338 additions, 0 deletions

modules/mol/alg/tests/testfiles/6jyf_trg.cif

with 9258 additions and 33 deletions

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