Pinned

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

   Machine Learning using marginalized graph kernel for chemical molecules.

   Python 12 2

2. ALMS ALMS Public

   Active Learning Molecular Simulation Platform.

   Jupyter Notebook 3

3. mgktools mgktools Public

   Package for marginalized graph kernel.

   Python 1

4. RekerLab/MolALKit RekerLab/MolALKit Public

   Benchmark for molecular active learning.

   Python 2