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buildamol
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A
buildamol\optimizers\base_rotatron.py
61 2 -
A
buildamol\utils\info.py
 10 -
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buildamol\optimizers\constraint_rotatron.py
13 1 -
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buildamol\extensions\docking\__init__.py
4 1 -
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buildamol\optimizers\forcefield_rotatron.py
12 2 -
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buildamol\extensions\bio\glycans\iupac.py
52 2 -
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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\resources\__init__.py
 1 -
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buildamol\utils\__init__.py
 2 -
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buildamol\resources\defaults.py
7 1 -
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buildamol\extensions\bio\lipids\simple_lipids.py
24 1 -
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buildamol\resources\pubchem.py
67 1 -
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buildamol\core\__init__.py
 2 -
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buildamol\utils\pdb.py
52 3 -
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buildamol\utils\json.py
39 1 -
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buildamol\utils\auxiliary.py
56 3 -
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.github\workflows\pypi-publish.yml
 1 -
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buildamol\structural\smiles.py
12 1 -
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buildamol\extensions\molecular_dynamics\psf.py
25 1 -