Metadata-Version: 2.1
Name: aquapointer
Version: 0.0.1
Summary: aquapointer
Author: Unitary Fund
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.11
Description-Content-Type: text/markdown
License-File: LICENSE

# aquapointer
Package applying quantum algorithms to find locations of water molecules in a protein cavity

## Getting started
You can use [this notebook](notebooks/aquapointer_demo.ipynb) to get started with aquapointer. 

## Installing aquapointer
From the top level of the repository, where the `setup.py` file is found, just run
```
python setup.py install
```
