Metadata-Version: 2.1
Name: espaloma_charge
Version: 0.0.2
Author: Yuanqing Wang
Author-email: wangyq@wangyq.net
License: MIT
Description-Content-Type: text/markdown
License-File: LICENSE

# Espaloma Charge
Standalone charge assignment from Espaloma framework. https://doi.org/10.1039/D2SC02739A

## Installation

```
pip install espaloma_charge
```

## Example

```python
from rdkit import Chem; from espaloma_charge import charge
molecule = Chem.MolFromSmiles("N#N")
charge(molecule)
>>> array([0., 0.], dtype=float32)

```
