smilestats

Name	smilestats JSON
Version	0.1.0 JSON
	download
home_page	None
Summary	A package to calculate molecule statistics by their smile encoding.
upload_time	2024-12-08 12:22:36
maintainer	None
docs_url	None
author	None
requires_python	None
license	None
keywords	smiles cheminformatics chemistry
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # 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 
```

            

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