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Created November 12, 2019 10:15
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Dockerfile for rdkit 2019.09.1
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Dockerfile
FROM continuumio/miniconda3
RUN conda create -n golem-rdkit-env \
&& conda install --yes --freeze-installed -c rdkit -n golem-rdkit-env rdkit=2019.09.1 \
&& conda clean -afy
RUN echo "source activate golem-rdkit-env" > ~/.bashrc
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