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  1. ailab-bio/GraphINVENT2 ailab-bio/GraphINVENT2 Public

    Core functionalities of GraphINVENT in a smaller, more user-friendly package.

    Python 4 1

  2. wenhao-gao/SynNet wenhao-gao/SynNet Public

    Python 84 21

  3. dl-chem-101 dl-chem-101 Public

    Example implementations of common machine learning projects in chemistry.

    Jupyter Notebook 160 31

  4. data-sharing-perspective data-sharing-perspective Public

    Data and scripts to generate figures for the data sharing perspective.

    Python