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  1. tensorflow/tensorflow tensorflow/tensorflow Public

    An Open Source Machine Learning Framework for Everyone

    C++ 186k 74.3k

  2. deepchem/deepchem deepchem/deepchem Public

    Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

    Python 5.5k 1.7k

  3. seyonechithrananda/bert-loves-chemistry seyonechithrananda/bert-loves-chemistry Public

    bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

    Jupyter Notebook 407 62

  4. chemprop chemprop Public

    Forked from chemprop/chemprop

    Message Passing Neural Networks for Molecule Property Prediction

    Python

  5. lmcinnes/umap lmcinnes/umap Public

    Uniform Manifold Approximation and Projection

    Python 7.4k 807

  6. TieDecay TieDecay Public

    Code accompanying "Tie-decay temporal networks in continuous time and eigenvector-based centralities" by Walid Ahmad, Mason Porter, and Mariano Beguerisse-Díaz.

    Jupyter Notebook