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Torina

An AI app for chemistry

To create a conda environment with all of the dependencies. Write the followig commands

conda create -n Torina python=3.7
conda install -y -n Torina -c rdkit rdkit 
conda install -y -n Torina -c openbabel openbabel
conda install -y -n Torina -c conda-forge scikit-learn
conda activate Torina
pip install tensorflow

OPTIONAL PACKAGES

conda install -y -n Torina dask
conda install -y -n Torina -c conda-forge deepchem

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