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diffractgpt_mistral_chemical_formula – AI Model by atomgptlab | AlphaNeural AI

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atomgptlab/
$diffractgpt_mistral_chemical_formula$
diffractgpt_mistral_chemical_formula

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text-generation-inference

text-generation

unsloth/mistral-7b-bnb-4bit

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

GitHub: https://github.com/atomgptlab/atomgpt

Web app: https://atomgpt.org/xrd

Example colab notebook

Dataset: 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.

Framework versions

PEFT 0.11.1