cdk_pywrapper

cdk_pywrapper copied to clipboard

I am using Ubuntu 14.04.5. When I try to install, error shows as below: Command "python setup.py egg_info" failed with error code 1 in /tmp/pip-req-build-4edq07f0/ ./cdk_pywrapper/cdk/cdk_bridge.java:112: error: ')' expected molecules.forEach(1,...

Luckick

Is MolecularFormulaGenerator function included ? and How to use it ?

hcji

Sorry to disturb you ,but I have some questions.Could this cdk_pywrapper transfer smiles to pubchemfingerprint,or it need to be expanded by myself?I try get_fingerprint ,it get error 'str objext has...

nibingwei123

Hi there, This pull request shares a security update on cdk_pywrapper. We also have an entry for cdk_pywrapper in our directory, MseeP.ai, where we provide regular security and trust updates...

lwsinclair