A Python wrapper for the Chemistry Development Kit (CDK).
This project is under development. I just work on it in my spare time, so the progression maybe slow.
Functions already included can be found in examples.
Top-priority functions are those not included in rdkit.
If any functions are needed at present, please put forward issues.
Include molecular descriptors and fingerprints.
Include fragmatation methods.
Include basic functions reading/writing molecule and manipulating formula and isotope pattern.
pip install git+git://github.com/hcji/pycdk@master