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cs.LG2025★ 5 cited
Virtual Cells: Predict, Explain, Discover
Emmanuel Noutahi, Jason Hartford, Prudencio Tossou +12
Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from computational models that can reliably simu…
cs.LG2023
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets
Dominique Beaini, Shenyang Huang, Joao Alex Cunha +32
Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and…