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ccdutils
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pdbeccdutils\tests\test_scaffold_generation.py
3 7 -
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.github\workflows\tests.yml
 6 -
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pdbeccdutils\tests\test_parity.py
1 6 -
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pdbeccdutils\tests\test_file_writing.py
37 5 1
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pdbeccdutils\tests\test_inchi_key_matches.py
2 5 -
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pdbeccdutils\tests\test_load_eoh_cif.py
11 5 -
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pdbeccdutils\tests\tst_utilities.py
5 5 -
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pdbeccdutils\tests\test_web_services.py
3 4 -
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pdbeccdutils\utils\config.py
 4 -
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.pre-commit-config.yaml
 3 -
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pdbeccdutils\tests\conftest.py
3 3 -
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pdbeccdutils\tests\test_fragment_library.py
4 3 1
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pdbeccdutils\core\exceptions.py
 2 -
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pdbeccdutils\helpers\conversions.py
6 2 -
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pdbeccdutils\helpers\mol_tools.py
20 2 -
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pdbeccdutils\helpers\cif_tools.py
10 1 -
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pdbeccdutils\tests\test_rdkit_fixtures.py
2 1 -