diff --git a/Dockerfile b/Dockerfile index 0302526..902076c 100644 --- a/Dockerfile +++ b/Dockerfile @@ -3,8 +3,6 @@ FROM jupyter/datascience-notebook RUN git clone https://github.com/gerritgr/moleculediffusiongan RUN rm -rf moleculediffusiongan/.git -RUN jupyter nbconvert --to script --output "moleculediffusiongan/main.py" "moleculediffusiongan/main.ipynb" - RUN cd moleculediffusiongan && mamba env create -f environment.yml -n moldiffgan RUN /opt/conda/envs/moldiffgan/bin/python -m ipykernel install --user --name=moldiffgan @@ -13,3 +11,6 @@ RUN mamba clean -ya RUN conda env export --name moldiffgan > environment_export.yml.txt # txt filending makes sure it is uploaded to wandb RUN conda env export --name moldiffgan + +RUN jupyter nbconvert --to script "moleculediffusiongan/main.ipynb" --output "moleculediffusiongan/main.py" +