GPS++: An Optimised Hybrid MPNN/Transformer for Molecular Property Prediction. - Dominic Masters; Josef Dean; Kerstin Klaser 001; Zhiyi Li; Sam Maddrell-Mander; Adam Sanders; Hatem Helal; Deniz Beker; Ladislav Rampásek; Dominique Beaini (CoRR, 2022)

Generating QM1B with PySCFIPU. - Alexander Mathiasen; Hatem Helal; Kerstin Klaser 001; Paul Balanca; Josef Dean; Carlo Luschi; Dominique Beaini; Andrew W. Fitzgibbon; Dominic Masters (NeurIPS, 2023)

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets. - Dominique Beaini; Shenyang Huang; Joao Alex Cunha; Zhiyi Li; Gabriela Moisescu-Pareja; Oleksandr Dymov; Samuel Maddrell-Mander; Callum McLean; Frederik Wenkel; Luis Müller; Jama Hussein Mohamud; Ali Parviz; et al. (CoRR, 2023)

GPS++: Reviving the Art of Message Passing for Molecular Property Prediction. - Dominic Masters; Josef Dean; Kerstin Kläser 001; Zhiyi Li; Samuel Maddrell-Mander; Adam Sanders; Hatem Helal; Deniz Beker; Andrew W. Fitzgibbon; Shenyang Huang; Ladislav Rampásek; Dominique Beaini (Trans. Mach. Learn. Res., 2023)

HUNIPU: Efficient Hungarian Algorithm on IPUs. - Cheng Huang; Alexander Mathiasen; Josef Dean; Davide Mottin; Ira Assent (ICDEW, 2024)

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets. - Dominique Beaini; Shenyang Huang; Joao Alex Cunha; Zhiyi Li; Gabriela Moisescu-Pareja; Oleksandr Dymov; Samuel Maddrell-Mander; Callum McLean; Frederik Wenkel; Luis Müller; Jama Hussein Mohamud; Ali Parviz; et al. (ICLR, 2024)

u-μP: The Unit-Scaled Maximal Update Parametrization. - Charlie Blake; Constantin Eichenberg; Josef Dean; Lukas Balles; Luke Yuri Prince; Björn Deiseroth; Andrés Felipe Cruz-Salinas; Carlo Luschi; Samuel Weinbach; Douglas Orr (ICLR, 2025)