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1. egfr-pic50-prediction egfr-pic50-prediction Public

   Machine learning model to predict the pIC50 for efgr target

   Python

2. AqSolPrediction AqSolPrediction Public

   End to end MLOps pipeline for predicting aqueous solubility of organic small molecules

   Python

3. t315i-kinase-md-simulations t315i-kinase-md-simulations Public

   MD simulation imatinib vs ponatinib, WT vs mutant

   Python