LICENSE
README.md
pyproject.toml
src/spinit/__init__.py
src/spinit/api.py
src/spinit/config.py
src/spinit.egg-info/PKG-INFO
src/spinit.egg-info/SOURCES.txt
src/spinit.egg-info/dependency_links.txt
src/spinit.egg-info/requires.txt
src/spinit.egg-info/top_level.txt
src/spinit/chemistry/__init__.py
src/spinit/chemistry/features.py
src/spinit/chemistry/hybridization.py
src/spinit/chemistry/motifs.py
src/spinit/graph/__init__.py
src/spinit/graph/bond_graph.py
src/spinit/graph/geometry.py
src/spinit/graph/graph_ops.py
src/spinit/graph/topology.py
src/spinit/output/__init__.py
src/spinit/output/reporting.py
src/spinit/seeding/__init__.py
src/spinit/seeding/assignment.py
src/spinit/seeding/scoring.py
tests/test_api_smoke.py