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On the robustness of generalization of drug-drug interaction models., , , , and . BMC Bioinform., 22 (1): 477 (2021)3D Infomax improves GNNs for Molecular Property Prediction., , , , , , and . CoRR, (2021)MOT: A Multi-Omics Transformer for Multiclass Classification Tumour Types Predictions., , , and . BIOINFORMATICS, page 252-261. SCITEPRESS, (2023)Real-World Molecular Out-Of-Distribution: Specification and Investigation., , , , and . J. Chem. Inf. Model., 64 (3): 697-711 (2024)Role of Structural and Conformational Diversity for Machine Learning Potentials., , , , , and . CoRR, (2023)Geodesics in fibered latent spaces: A geometric approach to learning correspondences between conditions., , , and . CoRR, (2020)Adaptive Deep Kernel Learning., , , , and . CoRR, (2019)Applying PySCMGroup to Breast Cancer Biomarkers Discovery., , , and . BIOINFORMATICS, page 72-82. SCITEPRESS, (2021)Gotta be SAFE: A New Framework for Molecular Design., , , , and . CoRR, (2023)Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets., , , , , , , , , and 25 other author(s). CoRR, (2023)