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Pinned

  1. graph-tutorial.pytorch graph-tutorial.pytorch Public

    Forked from meliketoy/graph-tutorial.pytorch

    Pytorch Tutorial for Non-Euclidean Graph Representations

    Python

  2. ochem_predict_nn ochem_predict_nn Public

    Forked from connorcoley/ochem_predict_nn

    Python

  3. SGC SGC Public

    Forked from Tiiiger/SGC

    official implementation for the paper "Simplifying Graph Convolutional Networks"

    Python

  4. rdkit/rdkit rdkit/rdkit Public

    The official sources for the RDKit library

    HTML 2.5k 842

  5. bigchem/retrosynthesis bigchem/retrosynthesis Public

    Applying deep neural networks for retrosynthesis tasks

    TeX 33 11

  6. aimat-lab/gcnn_keras aimat-lab/gcnn_keras Public

    Graph convolutions in Keras with TensorFlow, PyTorch or Jax.

    Jupyter Notebook 97 27