MANIFEST.in
readme.org
requirements.txt
setup.py
CatKit.egg-info/PKG-INFO
CatKit.egg-info/SOURCES.txt
CatKit.egg-info/dependency_links.txt
CatKit.egg-info/requires.txt
CatKit.egg-info/top_level.txt
catkit/__init__.py
catkit/build.py
catkit/db.py
catkit/gratoms.py
catkit/learn.py
catkit/data/__init__.py
catkit/data/chemical-properties.json
catkit/data/fingerprints.db
catkit/data/molecules.db
catkit/data/properties.json
catkit/flow/__init__.py
catkit/flow/fwespresso.py
catkit/flow/fwio.py
catkit/flow/hpcio.py
catkit/flow/qeio.py
catkit/gen/__init__.py
catkit/gen/adsorption.py
catkit/gen/geometry.py
catkit/gen/molecules.py
catkit/gen/pathways.py
catkit/gen/route.py
catkit/gen/surface.py
catkit/gen/utils.py
catkit/gen/api/__init__.py
catkit/gen/api/catmap.py
catkit/gen/api/rd_kit.py
catkit/pawprint/__init__.py
catkit/pawprint/generator.py
catkit/pawprint/operations.py