Reinforcement Learning for Molecular Design Guided by Quantum Mechanics - researchr publication authors

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Gregor N. C. Simm, Robert Pinsler, José Miguel Hernández-Lobato. Reinforcement Learning for Molecular Design Guided by Quantum Mechanics. In Proceedings of the 37th International Conference on Machine Learning, ICML 2020, 13-18 July 2020, Virtual Event. Volume 119 of Proceedings of Machine Learning Research, pages 8959-8969, PMLR, 2020. [doi]

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