Version Compatibility
Reference examples tested with: RDKit 2024.03+
Before using code patterns, verify installed versions match. If versions differ:
- Python:
pip show <package>thenhelp(module.function)to check signatures
If code throws ImportError, AttributeError, or TypeError, introspect the installed package and adapt the example to match the actual API rather than retrying.
Similarity Searching
"Find compounds similar to my query molecule" → Compute pairwise Tanimoto si
[Description truncada. Veja o README completo no GitHub.]