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buildamol
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A
buildamol\utils\sdmol.py
5 1 -
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buildamol\extensions\bio\nucleic_acids\simple_sequences.py
15 1 -
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buildamol\utils\json.py
39 1 -
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.github\workflows\pypi-publish.yml
 1 -
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support\paper_data\vs_stk\example_macrocycle\using_stk.py
 1 -
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docs\_static\css\styles.css
 1 -
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support\paper_data\optim_compare\conformer_generation\using_bam.py
 1 -
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buildamol\structural\base.py
60 1 -
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buildamol\structural\geometry.py
159 2 -
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buildamol\extensions\molecular_dynamics\solvate\__init__.py
1 2 -
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buildamol\utils\abstract.py
32 2 -
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buildamol\extensions\molecular_factories\__init__.py
 2 -
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support\paper_data\vs_stk\example_cyclohept_amine_NCore\using_buildamol.py
 2 -
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buildamol\utils\xml.py
68 2 -
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buildamol\extensions\polymers\polycarbons.py
25 2 -
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buildamol\graphs\__init__.py
 2 -
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buildamol\optimizers\__init__.py
 2 -
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buildamol\optimizers\algorithms.py
87 2 3
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buildamol\optimizers\base_rotatron.py
61 2 -
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buildamol\extensions\bio\glycans\glycan.py
17 2 1