DrugReflector安装教程

conda create -n drugreflector -y python=3.8
conda activate drugreflector
cd /data2/software
unzip drugreflector-main.zip#手动下载放好
mv drugreflector-main drugreflector
cd drugreflector
pip install -e .
pip install torch numpy pandas scipy anndata scanpy
pip3 install zenodo-get # if not already installed
zenodo_get --output-dir checkpoints 16912444
pip install jupyterlab
python -m ipykernel install --user --name drugreflector --display-name "Python (drugreflector)" 

https://zenodo.org/records/17437512 下载Checkpoints
下载完成后，您的目录结构应如下所示：

drugreflector/
├── checkpoints/
│   ├── model_fold_0.pt
│   ├── model_fold_1.pt
│   └── model_fold_2.pt
├── drugreflector/
│   ├── drug_reflector.py
│   └── ...
├── utils.py
└── ...