doouv
/

catalyst-diffusion-transformer

materials-science

heterogeneous-catalysts

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doouv commited on May 30

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 <!-- [![arXiv](https://img.shields.io/badge/PDF-arXiv-blue)](링크) -->
 [![Code](https://img.shields.io/badge/Code-GitHub-red)](https://github.com/doouv/CatDiT.git)
 [![Weights](https://img.shields.io/badge/Weights-HuggingFace-yellow)](https://huggingface.co/doouv/catalyst-diffusion-transformer)
 **CatDiT** is an SE(3)-equivariant latent diffusion transformer for heterogeneous catalyst inverse design, built upon [ADiT](https://github.com/facebookresearch/all-atom-diffusion-transformer). It jointly generates slab and adsorbate structures, and supports multi-conditional generation over adsorbate identity, adsorption energy, and catalyst class via classifier-free guidance.
 ## Model Variants

 <!-- [![arXiv](https://img.shields.io/badge/PDF-arXiv-blue)](링크) -->
 [![Code](https://img.shields.io/badge/Code-GitHub-red)](https://github.com/doouv/CatDiT.git)
 [![Weights](https://img.shields.io/badge/Weights-HuggingFace-yellow)](https://huggingface.co/doouv/catalyst-diffusion-transformer)
+[![Open in Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/doouv/CatDiT/blob/main/notebooks/catdit_demo.ipynb)
 **CatDiT** is an SE(3)-equivariant latent diffusion transformer for heterogeneous catalyst inverse design, built upon [ADiT](https://github.com/facebookresearch/all-atom-diffusion-transformer). It jointly generates slab and adsorbate structures, and supports multi-conditional generation over adsorbate identity, adsorption energy, and catalyst class via classifier-free guidance.
 ## Model Variants