35 citations · 35 across the 1 of their papers we have counts for
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cs.LG2022★ 35 cited
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design
Ilia Igashov, Hannes Stärk, Clément Vignac +5
Fragment-based drug discovery has been an effective paradigm in early-stage drug development. An open challenge in this area is designing linkers between disconnected molecular fra…
cs.LG2020
Building powerful and equivariant graph neural networks with structural message-passing
Clement Vignac, Andreas Loukas, Pascal Frossard
Message-passing has proved to be an effective way to design graph neural networks, as it is able to leverage both permutation equivariance and an inductive bias towards learning lo…