init
This commit is contained in:
@@ -0,0 +1,85 @@
|
||||
---
|
||||
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
|
||||
|
||||
|
||||
```
|
||||
Reference in New Issue
Block a user