Installation — pytorch_geometric documentation (original) (raw)

PyG is available for Python 3.9 to Python 3.13.

Note

We do not recommend installation as a root user on your system Python. Please setup a virtual environment, e.g., via venv, Anaconda/Miniconda, or create a Docker image.

Quick Start

PyTorch

Your OS

Package

CUDA

Run:

Installation via PyPi

From PyG 2.3 onwards, you can install and use PyG without any external library required except for PyTorch. For this, simply run:

pip install torch_geometric

Additional Libraries

If you want to utilize the full set of features from PyG, there exists several additional libraries you may want to install:

pyg-lib: Heterogeneous GNN operators and graph sampling routines
torch-scatter: Accelerated and efficient sparse reductions
torch-sparse: SparseTensor support, see here
torch-cluster: Graph clustering routines
torch-spline-conv: SplineConv support

These packages come with their own CPU and GPU kernel implementations based on the PyTorch C++/CUDA/hip(ROCm) extension interface. For a basic usage of PyG, these dependencies are fully optional. We recommend to start with a minimal installation, and install additional dependencies once you start to actually need them.

Installation from Wheels

For ease of installation of these extensions, we provide pip wheels for these packages for all major OS, PyTorch and CUDA combinations, see here:

Ensure that at least PyTorch 1.13.0 is installed:
python -c "import torch; print(torch.version)"

2.6.0
Find the CUDA version PyTorch was installed with:
python -c "import torch; print(torch.version.cuda)"

12.6
Install the relevant packages:
pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html
where ${TORCH} and ${CUDA} should be replaced by the specific PyTorch and CUDA versions, respectively:
- PyTorch 2.7.*: ${TORCH}=2.7.0 and ${CUDA}=cpu|cu118|cu126|cu128
- PyTorch 2.6.*: ${TORCH}=2.6.0 and ${CUDA}=cpu|cu118|cu124|cu126
- PyTorch 2.5.*: ${TORCH}=2.5.0 and ${CUDA}=cpu|cu118|cu121|cu124
- PyTorch 2.4.*: ${TORCH}=2.4.0 and ${CUDA}=cpu|cu118|cu121|cu124
- PyTorch 2.3.*: ${TORCH}=2.3.0 and ${CUDA}=cpu|cu118|cu121
- PyTorch 2.2.*: ${TORCH}=2.2.0 and ${CUDA}=cpu|cu118|cu121
- PyTorch 2.1.*: ${TORCH}=2.1.0 and ${CUDA}=cpu|cu118|cu121
- PyTorch 2.0.*: ${TORCH}=2.0.0 and ${CUDA}=cpu|cu117|cu118
- PyTorch 1.13.*: ${TORCH}=1.13.0 and ${CUDA}=cpu|cu116|cu117
  For example, for PyTorch 2.7.* and CUDA 12.8, type:
  pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.7.0+cu128.html
  For example, for PyTorch 2.6.* and CUDA 12.6, type:
  pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.6.0+cu126.html

Note: Binaries of older versions are also provided for PyTorch 1.4.0, 1.5.0, 1.6.0, 1.7.0/1.7.1, 1.8.0/1.8.1, 1.9.0, 1.10.0/1.10.1/1.10.2, 1.11.0, 1.12.0/1.12.1, 1.13.0/1.13.1, 2.0.0/2.0.1, 2.1.0/2.1.1/2.1.2, 2.2.0/2.2.1/2.2.2, 2.3.0/2.3.1, 2.4.0/2.4.1, and 2.5.0/2.5.1 (following the same procedure).For older versions, you need to explicitly specify the latest supported version number or install via pip install --no-index in order to prevent a manual installation from source. You can look up the latest supported version number here.

ROCm: The external pyg-rocm-build repository provides wheels and detailed instructions on how to install PyG for ROCm. If you have any questions about it, please open an issue here.

Installation from Source

In case a specific version is not supported by our wheels, you can alternatively install them from source:

Ensure that your CUDA is setup correctly (optional):
1. Check if PyTorch is installed with CUDA support:
  python -c "import torch; print(torch.cuda.is_available())"
  
  True
2. Add CUDA to $PATH and $CPATH (note that your actual CUDA path may vary from /usr/local/cuda):
  export PATH=/usr/local/cuda/bin:$PATH
  echo $PATH
  
  /usr/local/cuda/bin:...
  export CPATH=/usr/local/cuda/include:$CPATH
  echo $CPATH
  /usr/local/cuda/include:...
3. Add CUDA to $LD_LIBRARY_PATH on Linux and to $DYLD_LIBRARY_PATH on macOS (note that your actual CUDA path may vary from /usr/local/cuda):
  export LD_LIBRARY_PATH=/usr/local/cuda/lib64:$LD_LIBRARY_PATH
  echo $LD_LIBRARY_PATH
  
  /usr/local/cuda/lib64:...
  export DYLD_LIBRARY_PATH=/usr/local/cuda/lib:$DYLD_LIBRARY_PATH
  echo $DYLD_LIBRARY_PATH
  /usr/local/cuda/lib:...
4. Verify that nvcc is accessible from terminal:
5. Ensure that PyTorch and system CUDA versions match:
  python -c "import torch; print(torch.version.cuda)"
  
  11.8
  nvcc --version
  11.8
Install the relevant packages:
pip install --verbose git+https://github.com/pyg-team/pyg-lib.git
pip install --verbose torch_scatter
pip install --verbose torch_sparse
pip install --verbose torch_cluster
pip install --verbose torch_spline_conv

In rare cases, CUDA or Python path problems can prevent a successful installation.pip may even signal a successful installation, but execution simply crashes with Segmentation fault (core dumped). We collected common installation errors in the Frequently Asked Questions subsection. In case the FAQ does not help you in solving your problem, please create an issue. Before, please verify that your CUDA is set up correctly by following the official installation guide.

Installation via Anaconda

Warning

Conda packages are no longer available since PyTorch >2.5.0. Please use pip instead.

For earlier PyTorch versions (torch<=2.5.0), you can install PyG via Anaconda for all major OS, and CUDA combinations. If you have not yet installed PyTorch, install it via conda install as described in its official documentation. Given that you have PyTorch installed, run

If conda does not pick up the correct CUDA version of PyG, you can enforce it as follows:

conda install pyg=*=cu -c pyg

Frequently Asked Questions

undefined symbol: **make_function_schema**: This issue signals (1) a version conflict between your installed PyTorch version and the ${TORCH} version specified to install the extension packages, or (2) a version conflict between the installed CUDA version of PyTorch and the ${CUDA} version specified to install the extension packages. Please verify that your PyTorch version and its CUDA version match with your installation command:
python -c "import torch; print(torch.version)"
python -c "import torch; print(torch.version.cuda)"
nvcc --version
For re-installation, ensure that you do not run into any caching issues by using the pip --force-reinstall --no-cache-dir flags. In addition, the pip --verbose option may help to track down any issues during installation. If you still do not find any success in installation, please try to install the extension packages from source.