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Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App., , , , , , , , , and . CoRR, (2019)ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors., , , , and . Bioinform., 34 (15): 2566-2574 (2018)EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers., , , , , , , , , and . CoRR, (2021)"Molecular Anatomy": a new multi-dimensional hierarchical scaffold analysis tool., , , , , , and . J. Cheminformatics, 13 (1): 54 (2021)ANTAREX: A DSL-Based Approach to Adaptively Optimizing and Enforcing Extra-Functional Properties in High Performance Computing., , , , , , , , , and 11 other author(s). DSD, page 600-607. IEEE Computer Society, (2018)Supporting the Scale-Up of High Performance Application to Pre-Exascale Systems: The ANTAREX Approach., , , , , , , , , and 15 other author(s). PDP, page 116-123. IEEE, (2019)Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach., , , , , , , , , and 24 other author(s). CF, page 272-278. ACM, (2023)GENEOnet: A new machine learning paradigm based on Group Equivariant Non-Expansive Operators. An application to protein pocket detection., , , , , , , and . CoRR, (2022)Tunable approximations to control time-to-solution in an HPC molecular docking Mini-App., , , , , , , , , and . J. Supercomput., 77 (1): 841-869 (2021)GPU-optimized Approaches to Molecular Docking-based Virtual Screening in Drug Discovery: A Comparative Analysis., , , , , , and . CoRR, (2022)