Quantum-Encoded Molecular Similarity

Python scripts combining Qiskit & RDKit for quantum-encoded molecular similarity analysis. Includes Tanimoto similarity encoding, noise simulations, and IBM Quantum integration for drug discovery research.

Key Features

• Quantum circuit implementation
• Noise modeling & mitigation
• IBM Quantum integration
• Visualization tools

Requirements

• Python 3.7+, Qiskit, RDKit

License

• This project is licensed under the GNU General Public License.

Contact

• For questions or feedback, please contact Prof. Sergey Shityakov [[email protected]] or open an issue in the repository.