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buildamol
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A
support\paper_data\vs_stk\example_macrocycle\using_buildamol.py
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buildamol\extensions\bio\glycans\__init__.py
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support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_buildamol.py
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buildamol\optimizers\translatron.py
18 1 -
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support\paper_data\vs_stk\example_metalcomplex\octahedral_lambda\using_buildamol.py
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buildamol\extensions\molecular_dynamics\atom_typing\__init__.py
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support\paper_data\vs_stk\example_polymer\using_buildamol.py
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buildamol\resources\__init__.py
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buildamol\structural\patch.py
57 1 -
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support\pdbe_compounds\make_database.py
5 2 -
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buildamol\resources\defaults.py
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buildamol\extensions\molecular_dynamics\atom_typing\charmm_typer.py
10 1 -
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buildamol\extensions\bio\lipids\simple_lipids.py
24 1 -
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buildamol\extensions\polymers\__init__.py
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buildamol\structural\smiles.py
12 1 -
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buildamol\extensions\polymers\nanotubes.py
6 1 -
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buildamol\utils\__init__.py
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buildamol\resources\pubchem.py
67 1 -
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.github\workflows\pypi-publish.yml
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buildamol\__init__.py
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