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  1. datamol-io/safe datamol-io/safe Public

    A single model for all your molecular design tasks

    Python 188 22

  2. datamol-io/datamol datamol-io/datamol Public

    Molecular Processing Made Easy.

    Python 552 65

  3. biopython/biopython biopython/biopython Public

    Official git repository for Biopython (originally converted from CVS)

    Python 5.2k 2k

  4. ur-whitelab/exmol ur-whitelab/exmol Public

    Explainer for black box models that predict molecule properties

    Jupyter Notebook 355 46

  5. datamol-io/molfeat datamol-io/molfeat Public

    molfeat - the hub for all your molecular featurizers

    Python 232 31

  6. compressme compressme Public

    Principled model compression, exact storage tools, and reproducible biology-model validation

    Python 2 1