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buildamol
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Issues
A
buildamol\optimizers\__init__.py
 2 -
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buildamol\utils\constants.py
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buildamol\optimizers\base_rotatron.py
61 2 -
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buildamol\extensions\complexes\rotaxane_builder.py
31 2 -
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buildamol\optimizers\constraint_rotatron.py
13 1 -
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buildamol\extensions\bio\glycans\iupac.py
52 2 -
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buildamol\optimizers\forcefield_rotatron.py
12 2 -
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buildamol\extensions\docking\dockstring.py
20 1 -
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buildamol\optimizers\translatron.py
18 1 -
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buildamol\structural\base.py
60 1 -
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buildamol\resources\__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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buildamol\core\__init__.py
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buildamol\utils\ic.py
19 1 -
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buildamol\utils\defaults.py
2 1 -
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buildamol\utils\__init__.py
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buildamol\structural\smiles.py
12 1 -
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buildamol\structural\patch.py
57 1 -
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.github\workflows\pypi-publish.yml
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