2 papers
cs.LG2026
PerturbPFN: Probing the Limits of Synthetic Priors in Drug Perturbation Modelling
Yuche Gao, José Miguel Hernández-Lobato, Siyuan Guo
Predicting cellular responses to unseen chemical perturbations is challenging due to unknown targets and mechanisms, high-dimensional expression responses, and limited experimental…
q-bio.QM2025
M-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery
Siyuan Guo, Lexuan Wang, Chang Jin +6
This paper introduces M-20M, a large-scale Multi-Modal Molecule dataset that contains over 20 million molecules, with the data mainly being integrated from existing databases…