Cas Wognum

Real-World Molecular Out-Of-Distribution: Specification and Investigation

Prudencio Tossou, Cas Wognum, Michael Craig, 2024, J. Chem. Inf. Model..

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets

Jama Hussein Mohamud, M. Ravanelli, Reihaneh Rabbany, 2023, ICLR.