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knc6/diffractgpt_mistral_chemical_formula

text generationpeftenpeftsafetensorschemistrytext-generation-inferenceatomgptdiffractionmit
1
HuggingFaceHuggingFace
242.6K

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

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
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