Pinned Loading

1. DGKL DGKL Public

   DGKL: Deep Graph Kernel Learning for Uncertainty Quantification in Catalysis

   Python 1

2. BayesianFramework BayesianFramework Public

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

   Python 42 15

3. AlloyOpt AlloyOpt Public

   Multi-Objective Bayesian Optimization for Alloy Development

   Python 1

4. MatGNN MatGNN Public

   Graph Neural Network Library for Materials Science

   Python 1

5. SUNCAT-Center/CatKit SUNCAT-Center/CatKit Public

   General purpose tools for high-throughput catalysis

   Python 96 57

6. mlip_struct_gen mlip_struct_gen Public

   Structure generation for MLIP

   Python 1