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  1. IUPAC2Struct IUPAC2Struct Public

    IUPAC2Struct

    Python 34 7

  2. LegoGram LegoGram Public

    LegoGram: optimized molecular grammars for new molecules discovery

    Python 5 3

  3. molcomplib molcomplib Public

    Molcomplib is a parametric t-SNE model for the visualisation of chemical space

    Python 3 1

  4. cddd-onnx cddd-onnx Public

    Python 1