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  1. AgentMaps AgentMaps Public

    Make social simulations on real maps! Agent-based modeling for the web.

    JavaScript 955 40

  2. hierarchical-graph-net hierarchical-graph-net Public

    Hierarchical graph variational autoencoders for molecular representation learning

    Python 8 1

  3. dgl dgl Public

    Forked from dmlc/dgl

    Python package built to ease deep learning on graph, on top of existing DL frameworks.

    Python

  4. molecular-property-prediction molecular-property-prediction Public

    Predicting molecular properties using transformer embeddings.

    Python 2

  5. rdkit/rdkit rdkit/rdkit Public

    The official sources for the RDKit library

    HTML 3.6k 1k

  6. neural-rationales neural-rationales Public

    Lego Intelligence: Assembling Neural Networks From Interpretabe Building Blocks

    Jupyter Notebook 3

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