.readthedocs.yml
AUTHORS
ChangeLog
LICENSE
README.rst
requirements-docs.txt
requirements-tests.txt
setup.cfg
setup.py
.github/workflows/deploy.yml
.github/workflows/python-app.yml
cgsmiles/__init__.py
cgsmiles/cgsmiles_utils.py
cgsmiles/coordinates.py
cgsmiles/dialects.py
cgsmiles/drawing.py
cgsmiles/drawing_utils.py
cgsmiles/graph_layout.py
cgsmiles/graph_layout_utils.py
cgsmiles/graph_utils.py
cgsmiles/linalg_functions.py
cgsmiles/pysmiles_utils.py
cgsmiles/rdkit.py
cgsmiles/read_cgsmiles.py
cgsmiles/read_fragments.py
cgsmiles/resolve.py
cgsmiles/sample.py
cgsmiles/test_utils.py
cgsmiles/write_cgsmiles.py
cgsmiles.egg-info/PKG-INFO
cgsmiles.egg-info/SOURCES.txt
cgsmiles.egg-info/dependency_links.txt
cgsmiles.egg-info/not-zip-safe
cgsmiles.egg-info/pbr.json
cgsmiles.egg-info/requires.txt
cgsmiles.egg-info/top_level.txt
cgsmiles/tests/test_cgsmile_parsing.py
cgsmiles/tests/test_coordinates.py
cgsmiles/tests/test_layering.py
cgsmiles/tests/test_molecule_resolve.py
cgsmiles/tests/test_rdkit.py
cgsmiles/tests/test_sampler.py
cgsmiles/tests/test_utils.py
cgsmiles/tests/test_write_cgsmiles.py
docs/Makefile
docs/source/.DS_Store
docs/source/conf.py
docs/source/index.rst
docs/source/api/cgsmiles.cgsmiles_utils.rst
docs/source/api/cgsmiles.dialects.rst
docs/source/api/cgsmiles.drawing.rst
docs/source/api/cgsmiles.drawing_utils.rst
docs/source/api/cgsmiles.graph_layout.rst
docs/source/api/cgsmiles.graph_layout_utils.rst
docs/source/api/cgsmiles.graph_utils.rst
docs/source/api/cgsmiles.linalg_functions.rst
docs/source/api/cgsmiles.pysmiles_utils.rst
docs/source/api/cgsmiles.read_cgsmiles.rst
docs/source/api/cgsmiles.read_fragments.rst
docs/source/api/cgsmiles.resolve.rst
docs/source/api/cgsmiles.rst
docs/source/api/cgsmiles.sample.rst
docs/source/api/cgsmiles.write_cgsmiles.rst
docs/source/api/modules.rst
docs/source/gettingstarted/installation.rst
docs/source/gettingstarted/syntax_examples.rst
docs/source/gettingstarted/tutorials/drawing.rst
docs/source/gettingstarted/tutorials/index.rst
docs/source/gettingstarted/tutorials/mapping.rst
docs/source/gettingstarted/tutorials/martini.rst
docs/source/gettingstarted/tutorials/polymers.rst
docs/source/gettingstarted/tutorials/resolving.rst
docs/source/images/CGsmiles_logo.png
docs/source/images/CGsmiles_logo_large.png
docs/source/images/dichlorotoluene.jpeg
docs/source/images/toluene.jpeg
docs/source/syntax/basic_graph_description.rst
docs/source/syntax/chirality.rst
docs/source/syntax/fragments.rst
docs/source/syntax/introduction.rst
docs/source/syntax/multiple_resolutions.rst