What are the SMARTS keys for bit 1 through 44 of the MACCS fingerprint? cdk fingerprint rdkit openstandard Solution 2 answers Follow Answer Flag Andrew Dalke almost 2 years ago
3D coordinates best options: CDK, RDKit, OpenBabel... anything else? 3d libraries corina cdk rdkit Solution 4 answers 1 follower Follow Answer Flag Joerg Kurt Wegner about 3 years ago
How to solve a DLL loading problem when Installing RDkit library? rdkit 1 answer Follow Answer Flag Noel O'Boyle about 1 year ago