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Dockerfile
@@ -46,6 +46,7 @@ WORKDIR /app/posebench
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ARG GIT_TAG=main
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RUN git clone https://github.com/BioinfoMachineLearning/posebench . --branch ${GIT_TAG} \
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&& conda env update -f environments/posebench_environment.yaml \
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+ && conda install -c bioconda reduce \
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&& pip install -e . \
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&& pip install numpy==1.26.4 --no-dependencies \
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&& pip install prody==2.4.1 --no-dependencies \
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