Fig. 1: MOFFUSION Overview. | Nature Communications

Fig. 1: MOFFUSION Overview.

From: Multi-modal conditional diffusion model using signed distance functions for metal-organic frameworks generation

Fig. 1

a Signed distance function (SDF) representation of MOFs. Negative SDF values represent the interior of the pore surface, while positive values represent the exterior of the pore surface. b A graphical illustration of the noising and denoising process of SDFs. c Model architecture of MOFFUSION. Within MOFFUSION, a denoising 3D U-Net is used for the diffusion process, and the MOF Constructor is used for the construction of MOFs from the generated SDFs. VQ-VAE is used for data compression and restoration, but it is omitted from the visualization for clarity. MOFFUSION exhibits the conditioning of diverse modalities of data including numeric, categorical, and text data. The model scheme was prepared using Adobe Illustrator.

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