Metadata-Version: 2.1
Name: rdchiral
Version: 1.0.0
Summary: Wrapper for RDKit's RunReactants to improve stereochemistry handling
Home-page: https://github.com/connorcoley/rdchiral/
Author: Connor Coley
Author-email: ccoley@mit.edu
License: UNKNOWN
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.5
Description-Content-Type: text/markdown

# rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling

## Requirements

* RDKit (version >= 2019)
* Python (version >= 3.5)

## Installation

To install RDChiral run

```pip install rdchiral```

## Documentation

See ```rdchiral/main.py``` for a brief description of expected behavior and a few basic examples of how to use the wrapper. 

See ```rdchiral/test/test_rdchiral.py``` for a small set of test cases described [here](https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00286)


