Installation

Option A — Quick Installation

1. Download the repository

   • Clone:

     git clone https://github.com/MaShisongLab/SpacGPA.git
     cd SpacGPA
     

   • Or download ZIP (GitHub → Code → Download ZIP) and unzip:

     cd SpacGPA-main
     

2. Make sure you have installed CUDA-enabled PyTorch for GPU support (skip this step if using CPU only).

3. Install SpacGPA

   pip install .
   

Option B — Create a conda environment

1. Create the environment

   # If you downloaded ZIP
   cd SpacGPA-main
   # If you cloned
   # cd SpacGPA
   conda env create -f environment.yml
   conda activate SpacGPA
   

2. Install SpacGPA

   pip install .
   conda deactivate
   

Note

If you prefer a different CUDA/toolkit, edit the PyTorch lines in environment.yml to match your GPU / driver before installation. See PyTorch for a suitable version build for your CUDA/CPU. Option B provides a conservative working environment; try replacing the software in environment.yml with a newer version if you expect faster computations.