Mathis, Simon V

12 publications

FnTML 2025 Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Alex Strasser, Haiyang Yu, Yuqing Xie, Xiang Fu, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi S. Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess E. Smidt, Shuiwang Ji

TMLR 2025 RNA-FrameFlow: Flow Matching for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Rex Ying, Bryan Hooi, Pietro Lio

ICLR 2025 gRNAde: Geometric Deep Learning for 3D RNA Inverse Design Chaitanya K. Joshi, Arian Rokkum Jamasb, Ramon Viñas Torné, Charles Harris, Simon V Mathis, Alex Morehead, Rishabh Anand, Pietro Lio

ICLRW 2024 AI-Accelerated Biocatalyst Engineering by Rapid Microfluidic Sequence-Function Mapping Maximilian Gantz, Simon V Mathis, Friederike E. H. Nintzel, Paul J. Zurek, Tanja Knaus, Elie S. Patel, Daniel Boros, Friedrich-Maximilian Weberling, Elliot Medcalf, Jacob Moss, Michael Herger, Tomasz S. Kaminski, Francesco G. Mutti, Pietro Lio, Florian Hollfelder

ICLR 2024 Dynamics-Informed Protein Design with Structure Conditioning Urszula Julia Komorowska, Simon V Mathis, Kieran Didi, Francisco Vargas, Pietro Lio, Mateja Jamnik

ICLR 2024 Evaluating Representation Learning on the Protein Structure Universe Arian Rokkum Jamasb, Alex Morehead, Chaitanya K. Joshi, Zuobai Zhang, Kieran Didi, Simon V Mathis, Charles Harris, Jian Tang, Jianlin Cheng, Pietro Lio, Tom Leon Blundell

NeurIPSW 2024 Improving Antibody Design with Force-Guided Sampling in Diffusion Models Paulina Kulytė, Francisco Vargas, Simon V Mathis, Yu Guang Wang, José Miguel Hernández-Lobato, Pietro Lio

ICMLW 2024 RNA-FrameFlow for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio

ICMLW 2024 RNA-FrameFlow for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio

NeurIPSW 2023 Evaluating Zero-Shot Scoring for in Vitro Antibody Binding Prediction with Experimental Validation Divya Nori, Simon V Mathis, Amir Pouya Shanehsazzadeh

ICML 2023 On the Expressive Power of Geometric Graph Neural Networks Chaitanya K. Joshi, Cristian Bodnar, Simon V Mathis, Taco Cohen, Pietro Lio

NeurIPSW 2022 On the Expressive Power of Geometric Graph Neural Networks Chaitanya K. Joshi, Cristian Bodnar, Simon V Mathis, Taco Cohen, Pietro Liò