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A
support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_stk.py
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buildamol\utils\ic.py
19 1 -
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support\paper_data\vs_stk\example_macrocycle\using_stk.py
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buildamol\utils\json.py
39 1 -
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support\pdbe_compounds\pubchem_to_cif.py
2 2 -
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buildamol\utils\sdmol.py
5 1 -
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buildamol\extensions\bio\__init__.py
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buildamol\utils\xml.py
68 2 -
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support\paper_data\vs_stk\example_cylcohept_NCore\using_stk.py
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buildamol\optimizers\base_rotatron.py
61 2 -
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.readthedocs.yml
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environment.yml
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support\pdbe_compounds\size_filter.py
6 4 -
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tests\base.py
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tests\__init__.py
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support\pdbe_compounds\make_database.py
5 2 -
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support\paper_data\vs_stk\example_polymer\using_buildamol.py
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support\paper_data\vs_stk\example_cylcohept_NCore\using_buildamol.py
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buildamol\extensions\bio\proteins\__init__.py
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buildamol\utils\auxiliary.py
56 3 -