--- title: install RFantibody date: 2026-03-12 tags: [antibody, soft insatll] collections: [antibody, install] --- # install RFantibody ```shell # dir: /share/nas3/zhushixin/soft/unzip/RFantibody git clone ssh://git@39.104.92.69:8512/pub_soft/RFantibody.git # download weight bash include/download_weights.sh mamba create -n rfanibody mamba activate rfanibody mamba install python=3.10 pip install --pre torch torchvision torchaudio --index-url https://download.pytorch.org/whl/nightly/cu128 pip install --pre dgl --no-deps -f https://data.dgl.ai/wheels-test/torch-2.4/cu124/repo.html # 安装依赖 pip install . pip install omegaconf # pip install hydra-core==1.3.2 pip install hydra pip install scipy # test python /home/src/rfantibody/rfdiffusion/rfdiffusion_inference.py \ --config-name antibody \ antibody.target_pdb=/home/scripts/examples/example_inputs/rsv_site3.pdb \ antibody.framework_pdb=/home/scripts/examples/example_inputs/hu-4D5-8_Fv.pdb \ inference.ckpt_override_path=/home/weights/RFdiffusion_Ab.pt \ 'ppi.hotspot_res=[T305,T456]' \ 'antibody.design_loops=[L1:8-13,L2:7,L3:9-11,H1:7,H2:6,H3:5-13]' \ inference.num_designs=20 \ inference.output_prefix=/home/scripts/examples/example_outputs/ab_des #faild ``` # gpu0 ```shell # dir: /share/nas3/zhushixin/soft/gpu0_soft/RFantibody git clone ssh://git@39.104.92.69:8512/pub_soft/RFantibody.git # download weight bash include/download_weights.sh # test docker run --gpus '"device=1"' -it --rm 36d3aa0632ed ``` # gpu0 ```shell # dir: /share/nas3/zhushixin/soft/gpu0_soft/RFantibody git clone ssh://git@39.104.92.69:8512/pub_soft/RFantibody.git # download weight bash include/download_weights.sh mamba activate uv uv sync ``` test ```shell # test bash scripts/examples/nanobody_full_pipeline.sh # 查看设计结果 qvls scripts/examples/example_outputs/nb_ha_pipeline/2_proteinmpnn.qv mkdir check_install ## split结果 qvextract scripts/examples/example_outputs/nb_ha_pipeline/3_rf2.qv -o check_install/ ## 提取分数文件 qvscorefile scripts/examples/example_outputs/nb_ha_pipeline/3_rf2.qv cp scripts/examples/example_outputs/nb_ha_pipeline/3_rf2.sc check_install/3_rf2.tsv ```