LICENSE
README.md
pyproject.toml
biochar/__init__.py
biochar/biochar_generator.py
biochar/carbon_skeleton.py
biochar/constants.py
biochar/geometry_3d.py
biochar/gromacs_export.py
biochar/heteroatom_assignment.py
biochar/opls_typing.py
biochar/surface_builder.py
biochar/valence.py
biochar/validation.py
biochar.egg-info/PKG-INFO
biochar.egg-info/SOURCES.txt
biochar.egg-info/dependency_links.txt
biochar.egg-info/requires.txt
biochar.egg-info/top_level.txt
tests/test_generator.py
tests/test_pah_quality.py
tests/test_surface_builder.py