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1. MatGNN MatGNN Public

   Graph Neural Network Library for Materials Science

   Python 1

2. BayesianFramework BayesianFramework Public

   A framework for Bayesian model selection (BMS) and Bayesian model Averaging (BMA).

   Python 38 15

3. SUNCAT-Center/CatKit SUNCAT-Center/CatKit Public

   General purpose tools for high-throughput catalysis

   Python 86 51

4. SUNCAT-Center/CatLearn SUNCAT-Center/CatLearn Public

   A machine learning environment for atomic-scale modeling in surface science and catalysis.

   Python 103 62

5. XRD XRD Public

   A deep learning approach to XRD data analysis

   Jupyter Notebook

6. AlloyOpt AlloyOpt Public

   Multi-Objective Bayesian Optimization for Alloy Development

   Python