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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)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)Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model., , , , , , and . IEEE Trans. Evol. Comput., 26 (4): 793-799 (2022)Transferring a molecular foundation model for polymer property predictions., , , , , and . CoRR, (2023)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)Towards Native Execution of Deep Learning on a Leadership-Class HPC System., , , , , and . IPDPS Workshops, page 941-950. IEEE, (2019)Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms., , , , and . Patterns, 5 (4): 100947 (2024)Deep clustering of protein folding simulations., , , and . BMC Bioinform., 19-S (18): 47-58 (2018)Visual Analytics for Deep Embeddings of Large Scale Molecular Dynamics Simulations., , , , and . IEEE BigData, page 1759-1764. IEEE, (2019)