--- a
+++ b/docker/Dockerfile
@@ -0,0 +1,18 @@
+FROM pytorch/pytorch:1.8.1-cuda11.1-cudnn8-devel
+
+# metainformation
+LABEL org.opencontainers.image.version = "0.2.1"
+LABEL org.opencontainers.image.authors = "TorchDrug Team"
+LABEL org.opencontainers.image.source = "https://github.com/DeepGraphLearning/torchdrug"
+LABEL org.opencontainers.image.licenses = "Apache License 2.0"
+LABEL org.opencontainers.image.base.name="docker.io/pytorch/pytorch:1.8.1-cuda11.1-cudnn8-devel"
+
+RUN rm /etc/apt/sources.list.d/cuda.list
+RUN rm /etc/apt/sources.list.d/nvidia-ml.list
+
+RUN apt-get update && \
+    apt-get install -y libxrender1 && \
+    rm -rf /var/lib/apt/lists/*
+
+RUN pip install torch-scatter torch-cluster -f https://pytorch-geometric.com/whl/torch-1.8.1+cu111.html && \
+    pip install torchdrug