Deepchem-tutorial-reproduce

AutoDock Vina를 기반으로 한 Deepchem의 Tutorial을 따라해보자

Requirements & Installation

• pip install joblib
• pip install numpt
• pip install pandas
• pip install scikit-learn
• pip install scipy
• pip install tensorflow~=2.4
• pip install deepchem
• conda install -y -c conda-forge rdkit