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buildamol
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A
buildamol\extensions\bio\__init__.py
 1 -
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buildamol\utils\xyz.py
4 1 -
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buildamol\graphs\atom_graph.py
17 1 -
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docs\conf.py
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buildamol\extensions\bio\proteins\utils.py
3 1 -
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docs\requirements.txt
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buildamol\graphs\residue_graph.py
89 1 2
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setup.py
 21 -
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.readthedocs.yml
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support\paper_data\optim_compare\conformer_generation\using_bam.py
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buildamol\optimizers\algorithms.py
87 2 3
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support\paper_data\vs_stk\example_cyclohept_amine_NCore\using_stk.py
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buildamol\extensions\complexes\metal_complexer.py
56 1 2
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buildamol\structural\__init__.py
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buildamol\optimizers\circulatron.py
5 1 -
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.github\workflows\pypi-publish.yml
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buildamol\__init__.py
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buildamol\core\__init__.py
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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 -