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QASC algorithm for 2023 Quantum Computing for Drug Discovery Challenge at ICCAD.

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chemistry-OH

This repository contains the code of QASC algorithm for 2023 Quantum Computing for Drug Discovery Challenge at ICCAD.

requirements:

numpy
scikit-learn
pytorch
pennylane

To run the architecture search and reproduce the sampling results in Fig. 3 of Technical Reflection and Description, simply use

python MCTS_chemistry.py

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QASC algorithm for 2023 Quantum Computing for Drug Discovery Challenge at ICCAD.

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