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A
tests\test_optimizers.py
55 5 -
A
setup.py
 19 -
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buildamol\optimizers\__init__.py
 2 -
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support\paper_data\optim_compare\conformer_generation\using_bam.py
 1 -
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support\pdbe_compounds\make_database.py
5 2 -
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support\paper_data\vs_stk\example_cyclohept_amine_NCore\using_stk.py
 1 -
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buildamol\optimizers\base_rotatron.py
61 2 -
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tests\test_pdbe_compounds.py
27 6 -
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tests\base.py
 6 -
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support\tools\add_example_gallery.py
6 1 -
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support\paper_data\vs_stk\example_rotaxane\using_buildamol.py
 1 -
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buildamol\extensions\bio\nucleic_acids\__init__.py
 1 -
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buildamol\extensions\molecular_dynamics\psf.py
25 1 -
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buildamol\extensions\molecular_dynamics\solvate\backend_pdbfixer.py
13 1 1
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buildamol\structural\stitch.py
64 5 1
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buildamol\utils\abstract.py
71 1 1
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buildamol\extensions\molecular_factories\derivator.py
89 7 1
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buildamol\utils\convert.py
64 1 1
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buildamol\utils\visual.py
191 3 1
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buildamol\graphs\base_graph.py
141 1 1