.gitignore
README.rst
setup.py
.circleci/config.yml
docker/Dockerfile
docker/celery/Dockerfile
docker/celery/celery.env
docker/celery/config.json
examples/openchemistry.ipynb
examples/openchemistry_test.ipynb
examples/openchemistry_test.py
interface/README.md
interface/code.schema.json
interface/examples/chemml.json
interface/examples/nwchem.json
interface/examples/psi4.json
openchemistry/__init__.py
openchemistry/_calculation.py
openchemistry/_data.py
openchemistry/_girder.py
openchemistry/_molecule.py
openchemistry/_notebook.py
openchemistry/_utils.py
openchemistry/_visualization.py
openchemistry/api.py
openchemistry/recipes.py
openchemistry.egg-info/PKG-INFO
openchemistry.egg-info/SOURCES.txt
openchemistry.egg-info/dependency_links.txt
openchemistry.egg-info/requires.txt
openchemistry.egg-info/top_level.txt
openchemistry/io/__init__.py
openchemistry/io/base.py
openchemistry/io/cjson.py
openchemistry/io/constants.py
openchemistry/io/nwchemJson.py
openchemistry/io/orca.py
openchemistry/io/psi4.py
openchemistry/io/utils.py
taskflows/taskflows/__init__.py
taskflows/taskflows/utils/__init__.py
taskflows/taskflows/utils/avogadro.py
taskflows/taskflows/utils/pull.py