Metadata-Version: 2.1
Name: AqOrg
Version: 0.1.4
Summary: Estimate thermodynamic properties of aqueous organic compounds
Home-page: UNKNOWN
Author: Grayson Boyer
Author-email: gmboyer@asu.edu
License: UNKNOWN
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Requires-Dist: chemparse
Requires-Dist: thermo
Requires-Dist: pubchempy
Requires-Dist: sigfig
Requires-Dist: pandas

# AqOrg

Estimate the thermodynamic properties and HKF parameters of aqueous organic molecules using second order group additivity methods.

## Features

Placeholder

## Requirements

This package must be installed into an environment with [RDKit](https://www.rdkit.org/). See [these instructions](https://github.com/rdkit/rdkit/blob/master/Docs/Book/Install.md) for installing RDKit.

## Installation

Activate the environment containing RDKit. Then install `AqOrg` with pip:

```
$ pip install AqOrg
```

## Usage

Placeholder

