---
base_model: unsloth/mistral-7b-bnb-4bit
library_name: peft
license: mit
language:
- en
tags:
- chemistry
- text-generation-inference
- atomgpt
- diffraction
pipeline_tag: text-generation
---


# DiffractGPT: Atomic Structure Determination from X-ray Diffraction Patterns Using a Generative Pretrained Transformer

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GitHub: [https://github.com/atomgptlab/atomgpt](https://github.com/atomgptlab/atomgpt)

Web app: [https://atomgpt.org/xrd](https://atomgpt.org/xrd)

[Example colab notebook](https://colab.research.google.com/github/knc6/jarvis-tools-notebooks/blob/master/jarvis-tools-notebooks/DiffractGPT_example.ipynb)

Dataset: [https://huggingface.co/datasets/knc6/diffractgpt_jarvis_dft](https://huggingface.co/datasets/knc6/diffractgpt_jarvis_dft)

Reference: [Choudhary, K. (2025). DiffractGPT: Atomic Structure Determination from X-ray Diffraction Patterns Using a Generative Pretrained Transformer. The Journal of Physical Chemistry Letters, 16, 2110–2119.](https://pubs.acs.org/doi/10.1021/acs.jpclett.4c03137)

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### Framework versions

- PEFT 0.11.1