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BindingSite-AugmentedDTA: enabling a next-generation pipeline for interpretable prediction models in drug repurposing., , , , , , , , , and . Briefings Bioinform., (May 2023)Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations, , , and . Nanoscale, 3 (9): 3714-3720 (2011)Transfer Learned Designer Polymers For Organic Solar Cells., , , and . J. Chem. Inf. Model., 61 (1): 134-142 (2021)Towards Improving the Efficiency of Organic Solar Cells by Coarse-Grained Atomistic Modeling of Processing Dependent Morphologies., , , and . Comput. Sci. Eng., 23 (3): 48-55 (2021)Modeling Oxidation of AlCoCrFeNi High-Entropy Alloy Using Stochastic Cellular Automata., , and . Entropy, 24 (9): 1263 (2022)Comparing the Properties of Polyethylene Terephthalate (PET) Plastic Bricks to Conventional Concrete Masonry Units., , , , , , , , and . GHTC, page 1-6. IEEE, (2020)Accelerating computational modeling and design of high-entropy alloys., , , , and . Nat. Comput. Sci., 1 (1): 54-61 (2021)Community Approaches To Recycling Plastics., , , , , , and . GHTC, page 1-7. IEEE, (2019)Accelerating computational modeling and design of high-entropy alloys., , , , and . CoRR, (2020)3D Deep Learning with voxelized atomic configurations for modeling atomistic potentials in complex solid-solution alloys., , , , , , and . CoRR, (2018)