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buildamol
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A
buildamol\extensions\docking\dockstring.py
20 1 -
A
support\paper_data\vs_stk\example_rotaxane\using_buildamol.py
 1 -
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support\paper_data\vs_stk\example_rotaxane\using_stk.py
 1 -
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buildamol\optimizers\translatron.py
18 1 -
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buildamol\extensions\bio\lipids\__init__.py
 1 -
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buildamol\extensions\docking\easydock.py
24 1 1
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support\tools\add_example_gallery.py
6 1 -
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buildamol\resources\__init__.py
 1 -
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tests\__init__.py
 1 -
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buildamol\extensions\molecular_dynamics\__init__.py
 1 -
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buildamol\resources\charmm.py
99 1 -
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buildamol\extensions\bio\lipids\simple_lipids.py
24 1 -
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buildamol\extensions\molecular_dynamics\atom_typing\__init__.py
 1 -
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buildamol\resources\defaults.py
7 1 -
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buildamol\resources\pubchem.py
67 1 -
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buildamol\structural\__init__.py
 1 -
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.github\workflows\pypi-publish.yml
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buildamol\structural\base.py
60 1 -
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buildamol\extensions\bio\nucleic_acids\__init__.py
 1 -
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buildamol\extensions\molecular_dynamics\atom_typing\charmm_typer.py
10 1 -