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README.md
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[](https://www.arxiv.org/abs/2503.03965)
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[](https://github.com/facebookresearch/all-atom-diffusion-transformer/)
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[](https://x.com/chaitjo/status/1899114667219304525)
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[](https://www.chaitjo.com/publication/joshi-2025-allatom/All_Atom_Diffusion_Transformers_Slides.pdf)
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Note that these checkpoints are the result of an independent reproduction of this research by Chaitanya K. Joshi, and may not correspond to the exact models/performance metrics reported in the final manuscript.
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These checkpoints can be used to run inference as described in the [README on GitHub](https://github.com/facebookresearch/all-atom-diffusion-transformer/).
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```
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Examples of 10,000 sampled crystals and molecules are also available:
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- [Crystals as CIF files](https://huggingface.co/chaitjo/all-atom-diffusion-transformer/resolve/main/ADiT_crystals_mp20.zip)
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[](https://www.arxiv.org/abs/2503.03965)
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[](https://github.com/facebookresearch/all-atom-diffusion-transformer/)
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[](https://huggingface.co/chaitjo/all-atom-diffusion-transformer)
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[](https://x.com/chaitjo/status/1899114667219304525)
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[](https://www.chaitjo.com/publication/joshi-2025-allatom/All_Atom_Diffusion_Transformers_Slides.pdf)
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Note that these checkpoints are the result of an independent reproduction of this research by Chaitanya K. Joshi, and may not correspond to the exact models/performance metrics reported in the final manuscript.
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These checkpoints can be used to run inference as described in the [README on GitHub](https://github.com/facebookresearch/all-atom-diffusion-transformer/).
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Here is a minimal notebook for loading an ADiT checkpoint and sampling some crystals or molecules:
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<a target="_blank" href="https://colab.research.google.com/drive/1wHXsP0SHZ-Lx6Brgg-osuvTFrWw3M7oW?usp=sharing">
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<img src="https://colab.research.google.com/assets/colab-badge.svg" alt="Open In Colab"/>
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</a>
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Examples of 10,000 sampled crystals and molecules are also available:
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- [Crystals as CIF files](https://huggingface.co/chaitjo/all-atom-diffusion-transformer/resolve/main/ADiT_crystals_mp20.zip)
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