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"Structure-based drug design with equivariant diffusion models."
Arne Schneuing et al. (2024)
- Arne Schneuing, Charles Harris, Yuanqi Du
, Kieran Didi
, Arian Rokkum Jamasb, Ilia Igashov, Weitao Du, Carla P. Gomes
, Tom L. Blundell
, Pietro Lio
, Max Welling, Michael M. Bronstein, Bruno E. Correia
:
Structure-based drug design with equivariant diffusion models. Nat. Comput. Sci. 4(12): 899-909 (2024)
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