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1. autoXAS autoXAS Public

   Automated analysis of X-ray Absorption Spectroscopy (XAS) data

   Jupyter Notebook 5 1

2. CHILI CHILI Public

   Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

   Python 12 2

3. FrederikLizakJohansen/DebyeCalculator FrederikLizakJohansen/DebyeCalculator Public

   A vectorised implementation of the Debye Scattering Equation on CPU and GPU

   Jupyter Notebook 36 9