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buildamol
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Issues
A
buildamol\extensions\docking\dockstring.py
20 1 -
A
support\pdbe_compounds\make_database.py
5 2 -
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buildamol\optimizers\translatron.py
18 1 -
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support\pdbe_compounds\size_filter.py
6 4 -
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buildamol\structural\base.py
60 1 -
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tests\__init__.py
 1 -
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buildamol\resources\__init__.py
 1 -
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tests\test_charmm.py
2 4 -
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buildamol\extensions\molecular_dynamics\__init__.py
 1 -
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tests\test_graphs.py
101 4 2
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buildamol\resources\defaults.py
7 1 -
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tests\test_optimizers.py
55 5 -
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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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.github\workflows\pypi-publish.yml
 1 -
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buildamol\__init__.py
 2 -
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buildamol\core\__init__.py
 2 -
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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 -
A
buildamol\structural\connector.py
20 1 1