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1. Chem-Graph-Kernel-Machine Chem-Graph-Kernel-Machine Public

   Machine Learning using marginalized graph kernel for chemical molecules.

   Python 13 2

2. ALMS ALMS Public

   Active Learning Molecular Simulation Platform.

   Jupyter Notebook 3

3. mgktools mgktools Public

   Package for marginalized graph kernel.

   Python 2

4. RekerLab/MolALKit RekerLab/MolALKit Public

   Benchmark for molecular active learning.

   Python 5