Call CDK from Python

Somedays ago, I wanted to use molecular signature descriptors. But the descriptor can’t calculate from RDKit. ref. It was implemented in CDK. Hmm, CDK,,, Java library, I’m not good at JAVA :-/. I found old, but good information from CDK news and noel’s blog! URL is following Jython is one of solution. IContinue reading “Call CDK from Python”