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Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites., , , , , , , , , and 8 other author(s). J. Chem. Inf. Model., 61 (6): 3058-3073 (2021)Transferring a molecular foundation model for polymer property predictions., , , , , and . CoRR, (2023)Adaptive language model training for molecular design., , , , , , and . J. Cheminformatics, 15 (1): 59 (December 2023)Using GANs with adaptive training data to search for new molecules., , and . J. Cheminformatics, 13 (1): 14 (2021)Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models., , , , , , , and . SMC, volume 1690 of Communications in Computer and Information Science, page 3-19. Springer, (2022)ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning., , , , , , , , , and 2 other author(s). IEEE Trans. Pattern Anal. Mach. Intell., 44 (10): 7112-7127 (2022)Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19., , , , , , , , , and 41 other author(s). J. Chem. Inf. Model., 60 (12): 5832-5852 (2020)Towards Native Execution of Deep Learning on a Leadership-Class HPC System., , , , , and . IPDPS Workshops, page 941-950. IEEE, (2019)Language models for the prediction of SARS-CoV-2 inhibitors., , , , , , , , , and . Int. J. High Perform. Comput. Appl., 36 (5-6): 587-602 (2022)Secure Collaborative Environment for Seamless Sharing of Scientific Knowledge., , , , , , and . SMC, volume 1512 of Communications in Computer and Information Science, page 139-156. Springer, (2021)