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add Dockerfile #34

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add Dockerfile #34

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3fe0477
add Dockerfile
OBrink May 23, 2023
7878d22
add jupyter dependency to be able to run notebooks
OBrink May 23, 2023
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10 changes: 10 additions & 0 deletions Dockerfile
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@@ -0,0 +1,10 @@
FROM python:3.8-buster


RUN pip install --no-cache-dir chemdataextractor2
RUN pip install --no-cache-dir "numpy<1.24.0"
RUN pip install --no-cache-dir jupyter

RUN cde

CMD ["/bin/bash", "-c", "bash"]