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  1. constrained-graph-variational-autoencoder constrained-graph-variational-autoencoder Public

    Forked from microsoft/constrained-graph-variational-autoencoder

    Sample code for Constrained Graph Variational Autoencoders

    Python

  2. GNNImplicitSolvent GNNImplicitSolvent Public

    Forked from rinikerlab/GNNImplicitSolvent

    Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations

    Jupyter Notebook