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out-of-distribution molecule

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Co-occurring keywords · papers mentioning both

diffusion-based generative model (1) geometric diffusion (1) pretraining phase (1) 3d molecular generation (1) molecular conformation generation (1) distance geometry (1) molecular generation (1) diffusion model (1) out-of-distribution generalization (1) geometric deep learning (1)

Papers

Enhancing Generalizability in Molecular Conformation Generation with METRIZATION-Informed Geometric Diffusion Pretraining AAAI 2025