diff --git a/Dockerfile b/Dockerfile new file mode 100644 index 00000000..0fd1a169 --- /dev/null +++ b/Dockerfile @@ -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"]