--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/docker/Dockerfile	Tue Mar 01 02:53:05 2022 +0000
@@ -0,0 +1,26 @@
+FROM clairemcwhite/alphafold
+
+ARG CUDA=11.2
+ARG CUDA_FULL=11.2.2
+
+# Copy in updated alphafold repo (last commit 05/11/2021)
+# https://github.com/deepmind/alphafold/tree/be37a41d6f83e4145bd4912cbe8bf6a24af80c29
+RUN rm -rf /app/alphafold/alphafold
+COPY alphafold /app/alphafold/
+
+RUN conda update -qy conda \
+    && conda install -y -c conda-forge \
+      openmm=7.5.1 \
+      cudatoolkit==${CUDA_FULL} \
+      pdbfixer \
+      pip \
+      python=3.7
+
+RUN wget -q -P /app/alphafold/alphafold/common/ \
+  https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt
+
+# Fix correct jax version for Cuda 11.2: https://github.com/google/jax/issues/5668
+RUN pip3 install --upgrade pip \
+    && pip3 install -r /app/alphafold/requirements.txt \
+    && pip3 install --upgrade jax jaxlib==0.1.61+cuda112 -f \
+      https://storage.googleapis.com/jax-releases/jax_releases.html