34 citations · 66 across the 13 of their papers we have counts for
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cs.LG2023★ 34 cited
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
Alexandre Duval, Simon V. Mathis, Chaitanya K. Joshi +7
Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euc…
cs.LG2023★ 15 cited
SE(3)-Stochastic Flow Matching for Protein Backbone Generation
Avishek Joey Bose, Tara Akhound-Sadegh, Guillaume Huguet +7
The computational design of novel protein structures has the potential to impact numerous scientific disciplines greatly. Toward this goal, we introduce FoldFlow, a series of novel…