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Molecular Contrastive Pretraining with Collaborative Featurizations., , , , , and . J. Chem. Inf. Model., 64 (4): 1112-1122 (February 2024)Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks., , , , , , , , , and 3 other author(s). CoRR, (2023)Dataset for Disentangled Representation Learning for Interpretable Molecule Generation., , , and . (April 2021)Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems., , , , , , , , , and 53 other author(s). CoRR, (2023)MUBen: Benchmarking the Uncertainty of Molecular Representation Models., , , , , , and . Trans. Mach. Learn. Res., (2024)Property-Controllable Generation of Quaternary Ammonium Compounds., , , , , , , , , and 5 other author(s). BIBM, page 3462-3469. IEEE, (2022)Multi-objective Deep Data Generation with Correlated Property Control., , , , , , , , , and 4 other author(s). NeurIPS, (2022)GraphGT: Machine Learning Datasets for Graph Generation and Transformation., , , , , , , , and . NeurIPS Datasets and Benchmarks, (2021)CT Film Recovery via Disentangling Geometric Deformation and Illumination Variation: Simulated Datasets and Deep Models., , , , and . CoRR, (2020)Path Integral Stochastic Optimal Control for Sampling Transition Paths., , , , , and . CoRR, (2022)