Equivariant Neural Diffusion (END) combines a learnable, equivariant forward process with diffusion for 3D molecule generation, improving conditional controllability on QM9 and GEOM-Drugs.
An autoregressive flow model for 3d molecular geometry generation from scratch
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Equivariant Neural Diffusion for Molecule Generation
Equivariant Neural Diffusion (END) combines a learnable, equivariant forward process with diffusion for 3D molecule generation, improving conditional controllability on QM9 and GEOM-Drugs.