🐳 switch using conda-forge package

    conda create -y --name deepchem python=3.6 && \

    . /miniconda/etc/profile.d/conda.sh && \

    conda activate deepchem && \

    conda install -y -q scikit-learn=0.22 && \

    conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem-gpu==2.3.0 && \

    conda clean -afy

    pip install tensorflow-gpu=1.15 \

    conda install -c rdkit -c conda-forge -c omnia deepchem==2.3.0 && \

    conda clean -afy && \

    rm -rf ~/.cache/pip

RUN echo "conda activate deepchem" >> ~/.bashrc

WORKDIR /root/mydir