230218818/colabfold repository overview

FROM nvidia/cuda:11.1.1-devel-ubuntu20.04

COPY ./sources.list /etc/apt/sources.list
COPY ./install_colabbatch_linux.sh /

RUN apt-key adv --keyserver keyserver.ubuntu.com --recv-keys A4B469963BF863CC \
&& apt update \
&& apt -y install gcc curl git wget gnutls-bin \
&& git config --global http.sslVerify false \
&& git config --global http.postBuffer 1048576000 \
&& bash /install_colabbatch_linux.sh

ENV PATH="/colabfold_batch/conda/bin:/colabfold_batch/conda/condabin:/colabfold_batch/bin:$PATH"
RUN echo "source activate /colabfold_batch/colabfold-conda" > ~/.bashrc

CMD /bin/bash

docker run -d -v /path/to/param:/root/.cache/colabfold --rm --gpus all 230218818/colabfold /bin/bash -c "source activate /colabfold_batch/colabfold-conda && colabfold_batch --amber --templates --num-recycle 3 --use-gpu-relax {input} {output}"