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buildamol
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buildamol\extensions\bio\glycans\__init__.py
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setup.py
 19 -
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buildamol\optimizers\__init__.py
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support\paper_data\optim_compare\conformer_generation\using_bam.py
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buildamol\extensions\complexes\metal_complexer.py
56 1 2
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support\paper_data\vs_stk\example_cyclohept_amine_NCore\using_stk.py
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buildamol\optimizers\base_rotatron.py
61 2 -
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support\paper_data\vs_stk\example_cylcohept_NCore\using_stk.py
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.readthedocs.yml
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support\paper_data\vs_stk\example_macrocycle\using_stk.py
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buildamol\optimizers\constraint_rotatron.py
13 1 -
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support\paper_data\vs_stk\example_metalcomplex\octahedral_delta\using_stk.py
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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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.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\nucleic_acids\__init__.py
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buildamol\extensions\molecular_dynamics\psf.py
25 1 -
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buildamol\structural\groups.py
121 3 1