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Olympus: a benchmarking framework for noisy optimization and experiment planning., , , , , , , and . CoRR, (2020)Scientific intuition inspired by machine learning generated hypotheses., , , and . CoRR, (2020)Computational Complexity in Electronic Structure, , and . CoRR, (2012)Zori 1.0: A parallel quantum Monte Carlo electronic structure package., , , , , , , , and . J. Comput. Chem., 26 (8): 856-862 (2005)A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?, , , , , and . CoRR, (2024)Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design., , , , , , and . CoRR, (2022)JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design., , and . CoRR, (2021)Predicting 3D shapes, masks, and properties of materials, liquids, and objects inside transparent containers, using the TransProteus CGI dataset., , , and . CoRR, (2021)Computer vision for liquid samples in hospitals and medical labs using hierarchical image segmentation and relations prediction., , and . CoRR, (2021)Learning quantum dynamics with latent neural ODEs., , , and . CoRR, (2021)