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Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

, , , , , , и . CoRR, (2022)

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Andreas Guzik

Safwat Alani

Maia Alandjiyska

Yilmaz Alan

Bertold Aland

 

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qTorch: The Quantum Tensor Contraction Handler., , , , , и . CoRR, (2017)Reinforcement learning supercharges redox flow batteries., , , , , и . Nat. Mach. Intell., 4 (8): 667-668 (2022)Towards equilibrium molecular conformation generation with GFlowNets., , , , , , , , , и . CoRR, (2023)MVTrans: Multi-View Perception of Transparent Objects., , , , , , и . ICRA, стр. 3771-3778. IEEE, (2023)Seeing Glass: Joint Point-Cloud and Depth Completion for Transparent Objects., , , , , и . CoRL, том 164 из Proceedings of Machine Learning Research, стр. 827-838. PMLR, (2021)Parallel and Distributed Thompson Sampling for Large-scale Accelerated Exploration of Chemical Space., , , и . ICML, том 70 из Proceedings of Machine Learning Research, стр. 1470-1479. PMLR, (2017)A sparse algorithm for the evaluation of the local energy in quantum Monte Carlo., , , и . J. Comput. Chem., 26 (7): 708-715 (2005)Quantum compression with classically simulatable circuits., , и . CoRR, (2022)Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations., , , и . CoRR, (2020)Learning Interpretable Representations of Entanglement in Quantum Optics Experiments using Deep Generative Models., , , , , и . CoRR, (2021)