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Toward Assay-Aware Bioactivity Model(er)s: Getting a Grip on Biological Context2025 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Enzo G. Sastrokarijo, Laura H. Heitman, Joost B. Beltman, Willem Jespers, Gerard J. P. van Westen
21citations -
Ratatoskr: An Open-Source Framework for In-Depth Power, Performance, and Area Analysis and Optimization in 3D NoCs2021 ACM Transactions on Modeling and Computer Simulation article Computer Science Interconnection Networks and Systems
Jan Moritz Joseph, Lennart Bamberg, Imad Hajjar, Behnam Razi Perjikolaei, Alberto García-Ortiz, Thilo Pionteck
8citations -
FULTR: A Large-Scale Fusion Learning to Rank Dataset and Its Application for Satisfaction-Oriented Ranking2025 ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD) conference-paper Computer Science Information Retrieval and Search Behavior Open access
Yuchen Li, Hengyi Cai, Xinyu Ma, Shuaiqiang Wang, Haoyi Xiong, Zhaochun Ren, +2 more
3citations -
Landscape-Aware Automated Algorithm Configuration Using Multi-output Mixed Regression and Classification2024 Lecture notes in computer science conference-paper Computer Science Metaheuristic Optimization Algorithms Research Open access
Fu Xing Long, Moritz A. Frenzel, Markus Gitterle, Thomas Bäck, Bas van Stein
2citations -
Bridging chemical structure and genetic similarity: A Bio-QSAR model for cross-species toxicity predictions2026 Ecotoxicology and Environmental Safety article Computer Science Computational Drug Discovery Methods Open access
Mirko Forastiere, Martina G. Vijver, Leo Posthuma, Marco D. Visser
1citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +19 more
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
Landscape-Aware Automated Algorithm Configuration using Multi-output Mixed Regression and Classification2024 arXiv (Cornell University) preprint Computer Science Metaheuristic Optimization Algorithms Research Open access
Fu Xing Long, Moritz A. Frenzel, Markus Gitterle, Thomas Bäck, Bas van Stein
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets (Ultra Large Dataset)2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets (Ultra Large Dataset)2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +20 more
0citations -
EXCELLERATP2 D3.2 First Updated Report on Exa-Enabling Methodologies2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Parallel Computing and Optimization Techniques Open access
Ansgar Niemöller, Matthias H. Meinke, Joeffrey Legaux, Mohamed Ibrahim Ghenai, Michael Wagner, Tufan Arslan, +12 more
0citations