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Differentiable Chemical Physics by Geometric Deep Learning for Gradient-based Property Optimization of Mixtures.

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TensorFlow for Deep Learning: : from linear regression to reinforcement learning, and . O'Reilly Media, (2018)Differentiable Chemical Physics by Geometric Deep Learning for Gradient-based Property Optimization of Mixtures., , , , , , , and . CoRR, (2023)Retrosynthetic reaction prediction using neural sequence-to-sequence models., , , , , , , , , and . CoRR, (2017)The Extended Parameter Filter., , , and . ICML (3), volume 28 of JMLR Workshop and Conference Proceedings, page 1103-1111. JMLR.org, (2013)Molecular machine learning with DeepChem.. Stanford University, USA, (2018)Is Multitask Deep Learning Practical for Pharma?, , , , , , and . J. Chem. Inf. Model., 57 (8): 2068-2076 (August 2017)AMPL: A Data-Driven Modeling Pipeline for Drug Discovery., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 60 (4): 1955-1968 (2020)Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models., , , , and . ICML, volume 32 of JMLR Workshop and Conference Proceedings, page 1197-1205. JMLR.org, (2014)Solving the RNA design problem with reinforcement learning., , , and . PLoS Comput. Biol., (2018)NVMKV: A Scalable and Lightweight Flash Aware Key-Value Store., , , , , , and . HotStorage, USENIX Association, (2014)