conda install nb_conda_kernels

Dockerfile

@@ -77,7 +77,7 @@ RUN --mount=target=/root/on_startup.sh,source=on_startup.sh,readwrite \
         bash /root/on_startup.sh
 
 RUN mkdir /data && chown user:user /data
-RUN mkdir /data/chemprop && chown user:user /data/chemprop
+RUN mkdir /data/chemprop_nbs && chown user:user /data/chemprop_nbs
 #######################################
 # End root user section
 #######################################
@@ -95,8 +95,10 @@ SHELL ["conda", "run", "--no-capture-output", "-n", "chemprop_env", "/bin/bash",
 
 # Follow the installation instructions then clear the cache
 ADD chemprop chemprop
+ADD jupyter_examples /data/chemprop_nbs
 ADD LICENSE.txt pyproject.toml README.md ./
 RUN conda install pytorch cpuonly -c pytorch && \
+    conda install nb_conda_kernels && \
     conda clean --all --yes && \
     python -m pip install . && \
     python -m pip cache purge