Version Compatibility
Reference examples tested with: RDKit 2024.09+ (Open3DAlign), USRCAT 1.2+, ShaEP 1.7+, ROCS (OpenEye, commercial).
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.
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[Description truncada. Veja o README completo no GitHub.]