angeloziletti/ai4materials
Deep learning for crystal-structure recognition and analysis of atomic structures
This project helps materials scientists and researchers analyze crystal structures using advanced machine learning. It takes atomic structure data, often in common geometry file formats, and outputs predictions about the crystal structure along with an estimate of how confident the prediction is. This is ideal for materials science researchers, solid-state chemists, or physicists working with crystalline materials.
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Use this if you need to reliably identify and analyze crystal structures from atomic geometry files and want to understand the certainty of those predictions.
Not ideal if you are working with amorphous materials or need to analyze properties other than crystal structure recognition.
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Jupyter Notebook
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Last pushed
Feb 19, 2024
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