AGI-init/XRDs
The repo for x-ray diffraction pattern crystallography via deep learning.
This project helps materials scientists and crystallographers automatically identify crystal structures and space groups from X-ray diffraction (XRD) patterns. You input 1D XRD patterns, and it outputs classifications for 7 crystal types or 230 space groups. This tool is for researchers who work with X-ray diffraction data and need to quickly characterize crystalline materials.
No commits in the last 6 months.
Use this if you need an automated, deep-learning based method to classify crystal structures or space groups from large volumes of X-ray diffraction patterns.
Not ideal if you are looking for a tool to generate XRD patterns or perform atomistic simulations of materials.
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14
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Language
Python
License
MIT
Category
Last pushed
Mar 07, 2024
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