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安裝基礎(chǔ)軟件： # 安裝必要的包sudo apt-get updatesudo apt-get install -y ca-certificates curl git# 安裝 Dockersudo apt-get install ca-certificates curlsudo install -m 0755 -d /etc/apt/keyringssudo curl -fsSL https://download./linux/ubuntu/gpg -o /etc/apt/keyrings/docker.ascsudo chmod a r /etc/apt/keyrings/docker.asc# 添加 Docker 倉庫echo \ 'deb [arch=$(dpkg --print-architecture) signed-by=/etc/apt/keyrings/docker.asc] https://download./linux/ubuntu \ $(. /etc/os-release && echo '$VERSION_CODENAME') stable' | \ sudo tee /etc/apt/sources.list.d/docker.list > /dev/null# 安裝 Dockersudo apt-get updatesudo apt-get install -y docker-ce docker-ce-cli containerd.io docker-buildx-plugin docker-compose-plugin
安裝 NVIDIA 驅(qū)動(dòng)和 Docker GPU 支持：
獲取 AlphaFold 3 源代碼： git clone https://github.com/google-deepmind/alphafold3.gitcd alphafold3下載數(shù)據(jù)庫：
獲取模型參數(shù)：
建立 Docker 容器： docker build -t alphafold3 -f docker/Dockerfile .準(zhǔn)備運(yùn)行環(huán)境：
運(yùn)行 AlphaFold 3： docker run -it \ --volume $HOME/af_input:/root/af_input \ --volume $HOME/af_output:/root/af_output \ --volume $HOME/alphafold_params:/root/models \ --volume $HOME/alphafold_db:/root/public_databases \ --gpus all \ alphafold3 \python run_alphafold.py \ --json_path=/root/af_input/fold_input.json \ --model_dir=/root/models \ --output_dir=/root/af_output
表單申請(qǐng)?jiān)L問地址：https://docs.google.com/forms/d/e/1FAIpQLSfWZAgo1aYk0O4MuAXZj8xRQ8DafeFJnldNOnh_13qAx2ceZw/viewformGitHub倉庫地址：https://github.com/google-deepmind/alphafold3/tree/main |
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