├── .gitignore ├── LICENSE.txt ├── README.md ├── gendock.py └── gendock ├── __init__.py ├── docking.py ├── functional_groups.json ├── functional_groups.py ├── learn.py └── lipinski.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/LICENSE.txt -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/README.md -------------------------------------------------------------------------------- /gendock.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/gendock.py -------------------------------------------------------------------------------- /gendock/__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /gendock/docking.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/gendock/docking.py -------------------------------------------------------------------------------- /gendock/functional_groups.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/gendock/functional_groups.json -------------------------------------------------------------------------------- /gendock/functional_groups.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/gendock/functional_groups.py -------------------------------------------------------------------------------- /gendock/learn.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/gendock/learn.py -------------------------------------------------------------------------------- /gendock/lipinski.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/philspence/gendock/HEAD/gendock/lipinski.py --------------------------------------------------------------------------------