FROM nvidia/cuda:13.3.0-cudnn-devel-ubuntu24.04
RUN apt update && apt install -y git curl wget gfortran
RUN curl -O https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
RUN git clone https://github.com/martinpacesa/BindCraft /BindCraft
RUN bash -c 'echo -e "\nyes\n\n\yesn" | bash ./Miniconda3-latest-Linux-x86_64.sh'
RUN bash -c 'echo > /root/.bashrc; /root/miniconda3/bin/conda init'
RUN /root/miniconda3/bin/conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/main
RUN /root/miniconda3/bin/conda tos accept --override-channels --channel https://repo.anaconda.com/pkgs/r
WORKDIR /BindCraft
RUN bash -c '(echo source ~/.bashrc; sed 1d ./install_bindcraft.sh ) > ./install_bindcraft2.sh'
RUN bash ./install_bindcraft2.sh --cuda 13.2
RUN echo "conda activate BindCraft" >> ~/.bashrc
or dont but i am leaving this here for the next poor soul that tries to install this
run this with docker run -v $PWD:/BindCraft (pwd needs to be this repo)
or dont but i am leaving this here for the next poor soul that tries to install this
run this with docker run -v $PWD:/BindCraft (pwd needs to be this repo)