Project description

ChemKit

Documentation: http://chem-kit.metwork.science/

Source Code: https://github.com/YannBeauxis/chem-kit

ChemKit is a chemical toolbox based on RDKit with currently 2 main purposes :

Facilitate the usage of the RDKIt Python API with some more easy to use classes that can occasionally fix some bug (especially with Jupyter rendering).
Provide custom method for the MetWork project

## Usage

    from chem_kit import Molecule
    mol = Molecule("CCO")

    from chem_kit import Transformation
    tsf = Transformation("[#6:1]-[#8:2]-[#1:3]>>[#6:1]-[#8:2]-[#6:3](-[#1])(-[#1])-[#1]")

More examples with Jupyter notebook

These details have not been verified by PyPI

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

0.1.6

Jul 5, 2021

0.1.5

Jul 5, 2021

0.1.4

Jul 2, 2021

0.1.3

Jun 3, 2021

0.1.2

Apr 13, 2021

This version

0.1.1

Mar 23, 2021

0.1.0

Mar 19, 2021

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