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README.md
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Independent reproduction of the paper [*"All-atom Diffusion Transformers: Unified generative modelling of molecules and materials"*](https://www.arxiv.org/abs/2503.03965), by [Chaitanya K. Joshi](https://www.chaitjo.com/), [Xiang Fu](https://xiangfu.co/), [Yi-Lun Liao](https://www.linkedin.com/in/yilunliao), [Vahe Gharakhanyan](https://gvahe.github.io/), [Benjamin Kurt Miller](https://www.mathben.com/), [Anuroop Sriram*](https://anuroopsriram.com/), and [Zachary W. Ulissi*](https://zulissi.github.io/) from FAIR Chemistry at Meta (* Joint last author).
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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/). Alternatively, here is a minimal script for loading an ADiT checkpoint:
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Independent reproduction of the paper [*"All-atom Diffusion Transformers: Unified generative modelling of molecules and materials"*](https://www.arxiv.org/abs/2503.03965), by [Chaitanya K. Joshi](https://www.chaitjo.com/), [Xiang Fu](https://xiangfu.co/), [Yi-Lun Liao](https://www.linkedin.com/in/yilunliao), [Vahe Gharakhanyan](https://gvahe.github.io/), [Benjamin Kurt Miller](https://www.mathben.com/), [Anuroop Sriram*](https://anuroopsriram.com/), and [Zachary W. Ulissi*](https://zulissi.github.io/) from FAIR Chemistry at Meta (* Joint last author).
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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/). Alternatively, here is a minimal script for loading an ADiT checkpoint:
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