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Title: GitHub - RekerLab/mgktools: Package for marginalized graph kernel.

Open Graph Title: GitHub - RekerLab/mgktools: Package for marginalized graph kernel.

X Title: GitHub - RekerLab/mgktools: Package for marginalized graph kernel.

Description: Package for marginalized graph kernel. Contribute to RekerLab/mgktools development by creating an account on GitHub.

Open Graph Description: Package for marginalized graph kernel. Contribute to RekerLab/mgktools development by creating an account on GitHub.

X Description: Package for marginalized graph kernel. Contribute to RekerLab/mgktools development by creating an account on GitHub.

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Interpretability Marginalized Graph Kernelhttps://colab.research.google.com/drive/1Z6tx4_3FBhZB9SwOvxex9jIP-XZ40hi9?usp=sharing
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Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Moleculeshttps://pubs.acs.org/doi/full/10.1021/acs.jpca.1c02391
A Comparative Study of Marginalized Graph Kernel and Message-Passing Neural Networkhttps://pubs.acs.org/doi/full/10.1021/acs.jcim.1c01118
Interpretable Molecular Property Predictions Using Marginalized Graph Kernelshttps://pubs.acs.org/doi/full/10.1021/acs.jcim.3c00396
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