LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
src/Auto3D/SPE.py
src/Auto3D/__init__.py
src/Auto3D/auto3D.py
src/Auto3D/isomer_engine.py
src/Auto3D/ranking.py
src/Auto3D/utils.py
src/Auto3D.egg-info/PKG-INFO
src/Auto3D.egg-info/SOURCES.txt
src/Auto3D.egg-info/dependency_links.txt
src/Auto3D.egg-info/top_level.txt
src/Auto3D/ASE/__init__.py
src/Auto3D/ASE/geometry.py
src/Auto3D/ASE/thermo.py
src/Auto3D/batch_opt/ANI2xt.py
src/Auto3D/batch_opt/__init__.py
src/Auto3D/batch_opt/batchopt.py