Pinned Loading

1. SoluGNN SoluGNN Public

   Deployed Graph CNN to predict hydration energies from compounds' SMILES. See solvation_free_energy for exploratory analysis

   Python

2. solvation_free_energy solvation_free_energy Public

   A study on machine learning models focused on predicting solvation free energy of molecules.

   Jupyter Notebook

3. skinsmart_diagnostics skinsmart_diagnostics Public

   ML-based detection of malignant skin lesions.

   Jupyter Notebook

4. ODEs_cofactor_binding ODEs_cofactor_binding Public

   Enzymatic kinetic modeling for cofactor binding

   Python