VEDA

3D molecular generation via variance-exploding diffusion with annealing.

VEDA is a unified SE(3)-equivariant framework for generating conformationally accurate 3D molecules. It combines variance-exploding diffusion with annealing, a preconditioning scheme, and an arcsin-based sampling scheduler.

The framework is designed to balance generation quality and sampling efficiency across QM9 and GEOM-DRUGS.

Paper · Code

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