[2023/07/12 14:00] Emiel Hoogeboom - Equivariant Diffusion for molecules

NLeSC / Machine_Learning_SIG

The topics discussed in the Machine Learning SIG group.

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Open cwmeijer opened 1 year ago

cwmeijer commented 1 year ago

description/abstract: In this talk I will introduce a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) works on continuous (atom coordinates) and categorical features (atom types).
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