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1 parent f5603ce commit c8a2f4cCopy full SHA for c8a2f4c
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docker/Dockerfile
@@ -11,7 +11,8 @@ WORKDIR $HOME
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# Install workshop deps
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RUN mamba install oddt::oddt -y
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-RUN mamba install termcolor numpy=2.3.5 matplotlib seaborn pandas openbabel vina
+RUN pip install openbabel-wheel
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+RUN mamba install termcolor numpy=2.3.5 matplotlib seaborn pandas vina
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# Get workshop files and move them to jovyan directory.
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COPY --chown=1000:100 . .
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