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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 40 15

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

   General purpose tools for high-throughput catalysis

   Python 91 53

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

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

   Python 108 64

5. AlloyOpt AlloyOpt Public

   Multi-Objective Bayesian Optimization for Alloy Development

   Python

6. DGKL DGKL Public

   DGKL: Deep Graph Kernel Learning for Uncertainty Quantification in Catalysis

   Python