Add Dockerfile with usage instructions

docker/Dockerfile

@@ -0,0 +1,51 @@
+# Usage: 
+# git clone https://github.com/RosettaCommons/RFdiffusion.git
+# cd RFdiffusion
+# docker build -f docker/Dockerfile -t rfdiffusion .
+# mkdir $HOME/inputs $HOME/outputs $HOME/models
+# bash scripts/download_models.sh $HOME/models
+# wget -P $HOME/inputs https://files.rcsb.org/view/5TPN.pdb
+
+# docker run -it --rm --gpus all \
+#   -v $HOME/models:$HOME/models \
+#   -v $HOME/inputs:$HOME/inputs \
+#   -v $HOME/outputs:$HOME/outputs \
+#   rfdiffusion \
+#   inference.output_prefix=$HOME/outputs/motifscaffolding \
+#   inference.model_directory_path=$HOME/models \
+#   inference.input_pdb=$HOME/inputs/5TPN.pdb \
+#   inference.num_designs=3 \
+#   'contigmap.contigs=[10-40/A163-181/10-40]'
+
+FROM nvcr.io/nvidia/cuda:11.6.2-cudnn8-runtime-ubuntu20.04
+
+COPY . /app/RFdiffusion/
+
+RUN apt-get -q update \ 
+  && DEBIAN_FRONTEND=noninteractive apt-get install --no-install-recommends -y \
+  git \
+  python3.9 \
+  python3-pip \
+  && python3.9 -m pip install -q -U --no-cache-dir pip \
+  && rm -rf /var/lib/apt/lists/* \
+  && apt-get autoremove -y \
+  && apt-get clean \
+  && pip install -q --no-cache-dir \
+  dgl==1.0.2+cu116 -f https://data.dgl.ai/wheels/cu116/repo.html \
+  torch==1.12.1+cu116 --extra-index-url https://download.pytorch.org/whl/cu116 \
+  e3nn==0.3.3 \
+  wandb==0.12.0 \
+  pynvml==11.0.0 \
+  git+https://github.com/NVIDIA/dllogger#egg=dllogger \
+  decorator==5.1.0 \
+  hydra-core==1.3.2 \
+  pyrsistent==0.19.3 \
+  icecream==2.1.3 \
+  /app/RFdiffusion/env/SE3Transformer \
+  && pip install --no-cache-dir /app/RFdiffusion --no-deps
+  
+WORKDIR /app/RFdiffusion
+
+ENV DGLBACKEND="pytorch"
+
+ENTRYPOINT ["python3.9", "scripts/run_inference.py"]