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1. MOF_ChemUnity MOF_ChemUnity Public

   A knowledge graph unifying computational and experimental data for MOFs

   Jupyter Notebook 47 11

2. mofsim-bench mofsim-bench Public

   MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling

   Jupyter Notebook 44 3

3. Eunomia Eunomia Public

   Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts

   Python 77 5

4. XRayPro XRayPro Public

   A recommendation system for MOFs leveraging only PXRDs and precursors

   Jupyter Notebook 12 2

5. FABO FABO Public

   Feature Adaptive Bayesian Optimization for High-Dimensional Chemical Discovery

   Jupyter Notebook 8

6. CHE1147 CHE1147 Public

   Chemical Data Science and Engineering - University of Toronto

   Jupyter Notebook 24 6