all update

spawnerdockerfile/docker-compose.yml

@@ -0,0 +1,17 @@
+version: '3.8'
+services:
+  molscribe:
+    build: 
+      context: .
+      dockerfile: Dockerfile.base-notebook
+    image: hotwa/notebook:latest
+    container_name: notebook
+    deploy:
+      resources:
+        reservations:
+          devices:
+          - driver: nvidia
+            count: 1
+            capabilities: [gpu]
+    # command: micromamba run -n molscribe jupyter notebook --ip=0.0.0.0 --NotebookApp.allow_origin='*' --debug --no-browser --NotebookApp.disable_check_xsrf=True --port=8888 --allow-root --NotebookApp.token='' --NotebookApp.password='' --log-level=DEBUG
+