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AIsenberg

Bioactivity prediction to inhibit ERK2 enzyme

Prediction of molecules (SMILES) towards the inhibitation of ERK2 enzyme

Start the web Application

  1. Clone Project
git clone [email protected]:Heulito/AIsenberg.git
  1. cd into project
cd AIsenberg
  1. Create conda environment called WebAPP
conda create -n WebAPP python=3.8
  1. Activate conda environment
conda activate WebAPP
  1. Install the dependencies
pip install -r requirements.txt
  1. run the Web Application
streamlit run WebAPP_IC50.py