A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.
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Jan 7, 2024 - Python
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pxrd
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Accelerated molecular crystal structure determination from powder diffraction data
python
crystal
gpu
pytorch
crystallography
crystal-structure
powder-diffraction
xrd
diffraction
structure-determination
sdpd
structure-solution
pxrd
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Apr 14, 2024 - Python
A combination of useful tools for solving crystal structure with a friendly GUI.
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Aug 26, 2021 - Python
Reel1.0 is a visualization tool for powder diffraction data and refinement results, intended for in-situ, operando, or similar larges datasets.
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Mar 11, 2022 - Python
Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app
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Mar 28, 2023 - Python
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