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Theoretical and Computational Chemistry

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Last 3 years

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generative deep learning

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2 results in Keywords: generative deep learning

Theoretical and Computational Chemistry

Influence of Mg2+ Distribution on the Stability of Folded States of the Twister Ribozyme Revealed using Grand Canonical Monte Carlo and Generative Deep Learning Enhanced Sampling

Mert Sengul, Alexander MacKerell

Version 2 posted 15 February 2023

248

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Theoretical and Computational Chemistry

An invertible, invariant crystallographic representation for inverse design of solid-state materials using generative deep learning

Hang Xiao, Rong Li, Xiaoyang Shi, Yan Chen, Liangliang Zhu, Lei Wang, Xi Chen

Version 1 posted 22 May 2023

664

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