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

   Chemcrow

   Python 663 102

2. BOLLaMa BOLLaMa Public

   Python 25 5

3. whitead/molcloud whitead/molcloud Public

   Make a bunch of molecules

   Python 95 16

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