Dockerfile with minimal env needed for training

Dockerfile

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+ARG IMAGE_NAME=nvcr.io/nvidia/pytorch:21.06-py3
+
+FROM ${IMAGE_NAME} AS base
+ENV DEBIAN_FRONTEND=noninteractive
+
+
+COPY . /workspace/openfold
+WORKDIR /workspace/openfold
+
+RUN pip install -r requirements_minimal.txt
+RUN python setup.py install

requirements_minimal.txt

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+biopython==1.79
+deepspeed==0.5.3
+dm-tree==0.1.6
+ml-collections==0.1.0
+ninja==1.10.2
+tensorboardX==1.8
+triton==1.0.0
+git+https://github.com/PyTorchLightning/pytorch-lightning.git@6d79184ec50d9f80448013cc2c01b5b744a70b44