71 citations · 249 across the 16 of their papers we have counts for
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cs.AI2021★ 26 cited
Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking
Octavian-Eugen Ganea, Xinyuan Huang, Charlotte Bunne +4
Protein complex formation is a central problem in biology, being involved in most of the cell's processes, and essential for applications, e.g. drug design or protein engineering.…
cs.LG2021★ 15 cited
Proximal Optimal Transport Modeling of Population Dynamics
Charlotte Bunne, Laetitia Meng-Papaxanthos, Andreas Krause +1
We propose a new approach to model the collective dynamics of a population of particles evolving with time. As is often the case in challenging scientific applications, notably sin…