README.md
setup.py
stko/__init__.py
stko/base_calculator.py
stko.egg-info/PKG-INFO
stko.egg-info/SOURCES.txt
stko.egg-info/dependency_links.txt
stko.egg-info/top_level.txt
stko/calculators/__init__.py
stko/calculators/rdkit_calculators.py
stko/calculators/xtb_calculators.py
stko/optimizers/__init__.py
stko/optimizers/collapser.py
stko/optimizers/gulp.py
stko/optimizers/optimizers.py
stko/optimizers/rdkit.py
stko/optimizers/xtb.py
stko/utilities/__init__.py
stko/utilities/utilities.py