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buildamol
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Issues
A
buildamol\extensions\docking\__init__.py
4 1 -
A
support\paper_data\vs_stk\example_polymer\using_stk.py
 1 -
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buildamol\optimizers\overlap_rotatron.py
18 2 -
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support\paper_data\vs_stk\example_rotaxane\using_stk.py
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buildamol\extensions\bio\lipids\__init__.py
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buildamol\extensions\molecular_dynamics\__init__.py
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buildamol\resources\defaults.py
7 1 -
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support\pdbe_compounds\pubchem_to_cif.py
2 2 -
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buildamol\optimizers\utils.py
44 3 -
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support\tools\add_example_gallery.py
6 1 -
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tests\base.py
 6 -
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buildamol\resources\charmm.py
99 1 -
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buildamol\extensions\molecular_dynamics\atom_typing\__init__.py
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buildamol\resources\pubchem.py
67 1 -
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buildamol\structural\__init__.py
 2 -
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.github\workflows\pypi-publish.yml
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buildamol\__init__.py
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buildamol\core\__init__.py
 3 -
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buildamol\extensions\bio\lipids\simple_lipids.py
20 4 -
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buildamol\extensions\molecular_dynamics\atom_typing\atom_typer.py
27 2 -