Metadata-Version: 2.1
Name: rdchiral
Version: 1.1.0
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
Description: [![PyPI version](https://badge.fury.io/py/rdchiral.svg)](https://badge.fury.io/py/rdchiral)
        
        # 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```
        
        To get the most recent version reflected by this git repo, install with
        
        ```pip install -e "git://github.com/connorcoley/rdchiral.git#egg=rdchiral"```
        
        ## Fast C++ version (rdchiral_cpp)
        
        A fast C++ implementation ([rdchiral_cpp](https://gitlab.com/ljn917/rdchiral_cpp)) is available as a drop-in replacement. It provides ~10x speedup. To install from anaconda, run
        
        ```conda install -c conda-forge -c ljn917 rdchiral_cpp```
        
        ## 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)
        
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
