pyg-lib

Installation

We provide pre-built Python wheels for all major OS/PyTorch/CUDA combinations from Python 3.10 till 3.14, see here.

To install the wheels for CPU/CUDA backend, simply run

pip install pyg-lib -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html

where

• ${TORCH} should be replaced by either 2.10.0, 2.11.0, or 2.12.0
• ${CUDA} should be replaced by either cpu, cu126, cu128, cu130, or cu132

The following combinations are supported:

For ROCM backend, there is an 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.

Note: ROCM backend only support Linux up to now.

Build from source on a ROCm machine (Linux)

The following steps build and install pyg-lib with ROCm/HIP support from source. Ensure your ROCm installation includes hipblaslt, rocblas, rocprim, rocthrust, and composable_kernel.

1. Install system build tools:

sudo apt update
sudo apt install -y build-essential python3-dev python3-pip cmake ninja-build

2. Install Python build dependencies:

python3 -m pip install --upgrade pip setuptools wheel ninja

3. Install a ROCm-enabled PyTorch build (matching your ROCm stack):

# Example:
# python3 -m pip install torch torchvision --index-url https://download.pytorch.org/whl/rocm6.3

4. Configure environment variables:

export ROCM_PATH=/opt/rocm
export CMAKE_PREFIX_PATH="${ROCM_PATH};${ROCM_PATH}/lib/cmake"
export FORCE_ROCM=1
export FORCE_CUDA=0

# Set your GPU architecture, for example gfx90a/gfx942/gfx1100:
export PYTORCH_ROCM_ARCH="gfx1100;gfx950;gfx942;gfx90a;gfx908;gfx1201;gfx1101;gfx1030"
# Alternatively, you can use:
# export AMDGPU_TARGETS=gfx90a;gfx950;gfx942;gfx90a;gfx908;gfx1201;gfx1101;gfx1030
# If your hipcc does not recognize one of the targets, remove that target.

# Optional: disable CK grouped matmul path (enabled by default).
# export PYG_ROCM_MATMUL_USE_CK=0
# Optional: require CK path (fail fast if fallback would happen).
# export PYG_ROCM_MATMUL_REQUIRE_CK=1

grouped_matmul / segment_matmul behavior on ROCm:

• Important: The CK backend in pyg-lib only provides native kernels for bf16 and fp16.
• fp16 input: use CK FP16 grouped GEMM path.
• bf16 input: use CK BF16 grouped GEMM path.
• fp32 input: CK does not run native FP32 kernels. pyg-lib first converts to bf16 and tries CK BF16, then converts to fp16 and tries CK FP16.
• Since fp32 uses reduced-precision conversion on the CK path, numerical differences at bf16/fp16 precision are expected.
• PYG_ROCM_MATMUL_USE_CK=0: disable CK grouped matmul and use ATen matmul.
• PYG_ROCM_MATMUL_REQUIRE_CK=1: strict mode. If no CK path is accepted, an error is raised instead of falling back.
• Without strict mode, unsupported CK shapes/targets fall back to at::mm_out with a warning that includes the reason.
• On architectures without CK XDL support for the selected path (for example some gfx10 targets), fallback warnings are expected.

5. Build and install:

python3 -m pip install -v .

For editable/development install:

python3 -m pip install -v -e .

Optional check:

python3 -c "import torch; print(torch.version.hip)"

From nightly

Nightly wheels are provided for Linux from Python 3.10 till 3.14:

pip install pyg-lib -f https://data.pyg.org/whl/nightly/torch-${TORCH}+${CUDA}.html

From master

pip install ninja wheel
pip install --no-build-isolation git+https://github.com/pyg-team/pyg-lib.git