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  1. ur-whitelab/chemcrow-public ur-whitelab/chemcrow-public Public

    Chemcrow

    Python 519 71

  2. BOLLaMa BOLLaMa Public

    Python 22 4

  3. whitead/molcloud whitead/molcloud Public

    Make a bunch of molecules

    Python 89 15

  4. QuiremaTGADecomp QuiremaTGADecomp Public

    Decompose Thermo Gravimetrical Analysis (TGA) curves into simpler logistic curves representing mass-change events with a chemical interpretation. All of the analysis is performed with the TensorFlo…

    Jupyter Notebook

  5. Reaxys_PS Reaxys_PS Public

    Jupyter Notebook

  6. schwallergroup/liac-repo schwallergroup/liac-repo Public

    🍪 A cookiecutter template for the Laboratory of Artifical Chemical Intelligence (LIAC) at EPFL.

    Python 1