GitHub / olivierbeq/cdk_pywrapper issues and pull requests
#3 - Retrieve SMARTS pattern from fingerprint
Issue -
State: open - Opened by j-a-dietrich over 1 year ago
#2 - Is there a way to do canonical smiles using CDK package ?
Issue -
State: closed - Opened by thegodone over 1 year ago
- 1 comment
#1 - More recent repository layout
Issue -
State: open - Opened by cthoyt about 2 years ago