Metadata-Version: 2.1
Name: smilestats
Version: 0.1.0
Summary: A package to calculate molecule statistics by their smile encoding.
Author-email: Barkov Mikhail <mik.bar@tutamail.com>
Project-URL: Homepage, https://github.com/MikBark/smilestats
Keywords: SMILES,cheminformatics,chemistry
Description-Content-Type: text/markdown
Requires-Dist: pysmiles==1.1.2
Requires-Dist: importlib-metadata; python_version >= "3.8"

# smilestats

This is a small library that provides functions to calculate certain molecule features using the [SMILES](http://opensmiles.org/) encoding. The library uses the pysmiles package to read molecules encoded in SMILES as graphs.

# Installation

Requirements are Python 3.8 or higher version. To install the package from PyPI, run this command:

```bash
pip install smilestats
```

# Example

```python
from smilestats import aromatic_ring_count

print(aromatic_ring_count('Cc1cc(O)ccc1O'))
# 1 
```
