diff --git a/README.md b/README.md index 145b8a9..fea385c 100644 --- a/README.md +++ b/README.md @@ -27,7 +27,7 @@ conda env create -f environment.yml -n moldiffgan conda activate moldiffgan jupyter lab ``` -Then just run the notebook(s) from start to finish. +Then just run the notebook from start to finish. ### Via Docker Install docker and then: @@ -35,4 +35,8 @@ Install docker and then: docker pull gerritgr/moleculediffusiongan:latest docker run -p 8888:8888 gerritgr/moleculediffusiongan:latest ``` -You need to manually copy the URL to your browser, navigate to the notebook, and activate the _moldiffgan_ kernel (`Kernel -> Change Kernel...`). +Next: +1) Manually copy the URL to your browser (if other instances of jupyter lab are running, this can lead to problems). +2) Navigate to the notebook +3) Activate the _moldiffgan_ kernel (Kernel -> Change Kernel -> select _moldiffgan_). +4) Run _main.ipynb_ from start to finish.