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docs\_static\css\styles.css
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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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buildamol\graphs\base_graph.py
141 1 1
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docs\examples\chimera_movie.py
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buildamol\extensions\bio\proteins\utils.py
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docs\requirements.txt
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.readthedocs.yml
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buildamol\graphs\residue_graph.py
89 1 2
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environment.yml
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buildamol\extensions\bio\glycans\__init__.py
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buildamol\extensions\complexes\__init__.py
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support\paper_data\optim_benchmark\benchmark.py
4 1 -
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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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support\paper_data\vs_stk\example_cylcohept_NCore\using_buildamol.py
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buildamol\optimizers\circulatron.py
5 1 -
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support\paper_data\vs_stk\example_cylcohept_NCore\using_stk.py
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buildamol\optimizers\constraint_rotatron.py
13 1 -