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