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Noisy, sparse, nonlinear: Navigating the Bermuda Triangle of physical inference with deep filtering., , , and . CoRR, (2019)Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns., , , , , and . CoRR, (2022)The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors. Heidelberg University, Germany, (2015)base-search.net (ftunivheidelb:oai:archiv.ub.uni-heidelberg.de:19944).BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale., , and . CoRR, (2021)Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions., , and . CoRR, (2023)Investigating 3D Atomic Environments for Enhanced QSAR., , and . CoRR, (2020)A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design., , , and . Nat. Mac. Intell., 4 (12): 1130-1142 (December 2022)3D pride without 2D prejudice: Bias-controlled multi-level generative models for structure-based ligand design., , , and . CoRR, (2022)BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale., , and . Mach. Learn. Sci. Technol., 3 (4): 40501 (December 2022)