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1. AgentMaps AgentMaps Public

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

   JavaScript 967 39

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 3.7k 1.1k

6. neural-rationales neural-rationales Public

   Lego Intelligence: Assembling Neural Networks From Interpretabe Building Blocks

   Jupyter Notebook 3