.gitignore
CODE_OF_CONDUCT.md
LICENSE
NOTICE
README.md
pyproject.toml
requirements.txt
.github/workflows/python-publish.yml
docs/_static/mkite-core.png
mkite_core/__init__.py
mkite_core.egg-info/PKG-INFO
mkite_core.egg-info/SOURCES.txt
mkite_core.egg-info/dependency_links.txt
mkite_core.egg-info/entry_points.txt
mkite_core.egg-info/requires.txt
mkite_core.egg-info/top_level.txt
mkite_core/cli/__init__.py
mkite_core/cli/kite.py
mkite_core/cli/runner.py
mkite_core/external/__init__.py
mkite_core/external/config.py
mkite_core/external/rdkit.py
mkite_core/external/serialization.py
mkite_core/external/tests/__init__.py
mkite_core/external/tests/test_rdkit.py
mkite_core/models/__init__.py
mkite_core/models/base.py
mkite_core/models/calcs.py
mkite_core/models/formula.py
mkite_core/models/jobs.py
mkite_core/models/mols.py
mkite_core/models/status.py
mkite_core/models/structs.py
mkite_core/models/tests/__init__.py
mkite_core/models/tests/test_jobs.py
mkite_core/models/tests/test_mols.py
mkite_core/models/tests/test_structs.py
mkite_core/plugins/__init__.py
mkite_core/plugins/loader.py
mkite_core/recipes/__init__.py
mkite_core/recipes/base.py
mkite_core/recipes/chain.py
mkite_core/recipes/errors.py
mkite_core/recipes/options.py
mkite_core/recipes/parser.py
mkite_core/recipes/pipes.py
mkite_core/recipes/recipe.py
mkite_core/recipes/runner.py
mkite_core/recipes/settings.py
mkite_core/recipes/tests/__init__.py
mkite_core/recipes/tests/test_base.py
mkite_core/recipes/tests/test_chain.py
mkite_core/recipes/tests/test_options.py
mkite_core/recipes/tests/test_parser.py
mkite_core/recipes/tests/test_recipe.py
mkite_core/recipes/tests/test_runner.py
mkite_core/recipes/tests/test_settings.py
mkite_core/tests/__init__.py
mkite_core/tests/tempdirs.py
mkite_core/tests/files/POSCAR
mkite_core/tests/files/__init__.py
mkite_core/tests/files/jobinfo.json
mkite_core/tests/files/settings.yaml
mkite_core/tests/files/tea.sdf
mkite_core/tests/files/models/__init__.py
mkite_core/tests/files/models/conformer.json
mkite_core/tests/files/models/crystal.json
mkite_core/tests/files/models/molecule.json
mkite_core/tests/files/models/projecteddos.json