diff --git a/docker/Dockerfile b/docker/Dockerfile index 1f0aba1..92224ee 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -11,7 +11,8 @@ WORKDIR $HOME # Install workshop deps RUN mamba install oddt::oddt -y -RUN mamba install termcolor numpy=2.3.5 matplotlib seaborn pandas openbabel vina +RUN pip install openbabel-wheel +RUN mamba install termcolor numpy=2.3.5 matplotlib seaborn pandas vina # Get workshop files and move them to jovyan directory. COPY --chown=1000:100 . .