├── .gitignore ├── .travis.yml ├── CHANGELOG.md ├── LICENSE ├── README.md ├── django_rdkit ├── __init__.py ├── apps.py ├── config.py ├── migrations │ ├── 0001_setup.py │ └── __init__.py ├── models │ ├── __init__.py │ ├── fields.py │ └── functions.py └── operations.py ├── docs ├── Makefile ├── _build │ └── .gitignore ├── _static │ └── .gitkeep ├── _templates │ └── .gitkeep ├── conf.py ├── database_setup.rst ├── fields.rst ├── functions.rst ├── guc.rst ├── index.rst ├── introduction.rst ├── lookups.rst ├── project.rst ├── settings.rst └── tutorial.rst ├── runtests.py ├── setup.py └── tests ├── __init__.py ├── migrations ├── 0001_initial.py └── __init__.py ├── models.py ├── molecules.py ├── reactions.py └── tests.py /.gitignore: -------------------------------------------------------------------------------- 1 | *.py[co] 2 | *~ 3 | build/ 4 | dist/ 5 | django_rdkit.egg-info/ 6 | -------------------------------------------------------------------------------- /.travis.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/.travis.yml -------------------------------------------------------------------------------- /CHANGELOG.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/CHANGELOG.md -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/README.md -------------------------------------------------------------------------------- /django_rdkit/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/__init__.py -------------------------------------------------------------------------------- /django_rdkit/apps.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/apps.py -------------------------------------------------------------------------------- /django_rdkit/config.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/config.py -------------------------------------------------------------------------------- /django_rdkit/migrations/0001_setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/migrations/0001_setup.py -------------------------------------------------------------------------------- /django_rdkit/migrations/__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /django_rdkit/models/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/models/__init__.py -------------------------------------------------------------------------------- /django_rdkit/models/fields.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/models/fields.py -------------------------------------------------------------------------------- /django_rdkit/models/functions.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/models/functions.py -------------------------------------------------------------------------------- /django_rdkit/operations.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/django_rdkit/operations.py -------------------------------------------------------------------------------- /docs/Makefile: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/Makefile -------------------------------------------------------------------------------- /docs/_build/.gitignore: -------------------------------------------------------------------------------- 1 | * 2 | !.gitignore 3 | 4 | -------------------------------------------------------------------------------- /docs/_static/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /docs/_templates/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /docs/conf.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/conf.py -------------------------------------------------------------------------------- /docs/database_setup.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/database_setup.rst -------------------------------------------------------------------------------- /docs/fields.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/fields.rst -------------------------------------------------------------------------------- /docs/functions.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/functions.rst -------------------------------------------------------------------------------- /docs/guc.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/guc.rst -------------------------------------------------------------------------------- /docs/index.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/index.rst -------------------------------------------------------------------------------- /docs/introduction.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/introduction.rst -------------------------------------------------------------------------------- /docs/lookups.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/lookups.rst -------------------------------------------------------------------------------- /docs/project.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/project.rst -------------------------------------------------------------------------------- /docs/settings.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/settings.rst -------------------------------------------------------------------------------- /docs/tutorial.rst: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/docs/tutorial.rst -------------------------------------------------------------------------------- /runtests.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/runtests.py -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/setup.py -------------------------------------------------------------------------------- /tests/__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/migrations/0001_initial.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/tests/migrations/0001_initial.py -------------------------------------------------------------------------------- /tests/migrations/__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/models.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/tests/models.py -------------------------------------------------------------------------------- /tests/molecules.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/tests/molecules.py -------------------------------------------------------------------------------- /tests/reactions.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/tests/reactions.py -------------------------------------------------------------------------------- /tests/tests.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/rdkit/django-rdkit/HEAD/tests/tests.py --------------------------------------------------------------------------------