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Hadrien Mary
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2020 – today
- 2024
- [j1]Prudencio Tossou
, Cas Wognum
Real-World Molecular Out-Of-Distribution: Specification and Investigation. J. Chem. Inf. Model. 64(3): 697-711 (2024) - [c1]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, Michael Craig, Michal Koziarski, Jiarui Lu, Zhaocheng Zhu, Cristian Gabellini, Kerstin Klaser, Josef Dean, Cas Wognum, Maciej Sypetkowski, Guillaume Rabusseau, Reihaneh Rabbany, Jian Tang, Christopher Morris, Mirco Ravanelli, Guy Wolf, Prudencio Tossou, Hadrien Mary, Therence Bois, Andrew W. Fitzgibbon, Blazej Banaszewski, Chad Martin, Dominic Masters:
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets. ICLR 2024 - 2023
- [i2]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, Michael Craig, Michal Koziarski, Jiarui Lu, Zhaocheng Zhu, Cristian Gabellini, Kerstin Klaser, Josef Dean, Cas Wognum, Maciej Sypetkowski, Guillaume Rabusseau, Reihaneh Rabbany, Jian Tang, Christopher Morris, Ioannis Koutis, Mirco Ravanelli, Guy Wolf, Prudencio Tossou, Hadrien Mary, Therence Bois, Andrew W. Fitzgibbon, Blazej Banaszewski, Chad Martin, Dominic Masters:
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets. CoRR abs/2310.04292 (2023) - [i1]Nikhil Shenoy, Prudencio Tossou, Emmanuel Noutahi, Hadrien Mary, Dominique Beaini, Jiarui Ding:
Role of Structural and Conformational Diversity for Machine Learning Potentials. CoRR abs/2311.00862 (2023)
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