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CODE_OF_CONDUCT.md
CONTRIBUTING.rst
LICENSE
MANIFEST.in
README.md
create_conda.sh
pyproject.toml
setup.cfg
setup.py
tox.ini
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docs/Makefile
docs/environment.yml
docs/make.bat
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examples/example_splitting.ipynb
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src/moffragmentor/fragmentor/branching_points.py
src/moffragmentor/fragmentor/filter.py
src/moffragmentor/fragmentor/linkerlocator.py
src/moffragmentor/fragmentor/molfromgraph.py
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src/moffragmentor/harvester/harvest_building_blocks.py
src/moffragmentor/molecule/__init__.py
src/moffragmentor/molecule/nonsbumolecule.py
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src/moffragmentor/sbu/__init__.py
src/moffragmentor/sbu/linker.py
src/moffragmentor/sbu/linkercollection.py
src/moffragmentor/sbu/node.py
src/moffragmentor/sbu/nodecollection.py
src/moffragmentor/sbu/sbu.py
src/moffragmentor/sbu/sbucollection.py
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src/moffragmentor/utils/errors.py
src/moffragmentor/utils/mol_compare.py
src/moffragmentor/utils/periodic_graph.py
src/moffragmentor/utils/systre.py
src/moffragmentor/utils/data/atom_typing_radii.yml
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tests/test_molecule.py
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tests/test_sbu_collection.py
tests/test_systre.py
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tests/descriptors/test_sbu_dimensionality.py
tests/fragmentor/__init__.py
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tests/fragmentor/net_regression_test.py
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