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High-throughput virtual laboratory for drug discovery using massive datasets., , , , , , , , , and 2 other author(s). Int. J. High Perform. Comput. Appl., (2021)TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences., , , , , , , and . Int. J. High Perform. Comput. Appl., 37 (6): 666-682 (November 2023)Strong scaling of general-purpose molecular dynamics simulations on GPUs., , , , , , , and . Comput. Phys. Commun., (2015)Scaling SQL to the Supercomputer for Interactive Analysis of Simulation Data., , , , , and . SMC, volume 1512 of Communications in Computer and Information Science, page 327-339. Springer, (2021)Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model., , , , , , and . IEEE Trans. Evol. Comput., 26 (4): 793-799 (2022)Language models for the prediction of SARS-CoV-2 inhibitors., , , , , , , , , and . Int. J. High Perform. Comput. Appl., 36 (5-6): 587-602 (2022)Glass transition and rheological redundancy in F-actin solutions, , , , , and . Proceedings of the National Academy of Sciences, 104 (51): 20199-20203 (2007)