TorchDrug can be installed on either Linux, Windows or macOS. It is compatible with Python 3.7/3.8/3.9 and PyTorch >= 1.8.0.
conda install torchdrug -c milagraph -c conda-forge -c pytorch -c pyg
First, let’s install PyTorch.
pip3 install torch
torch-scatter, we need to check the version of PyTorch and CUDA.
We can get the version of PyTorch by
python3 -c "import torch; print(torch.__version__").
The version of CUDA can be get by
nvcc -V. For example, if our PyTorch is
and CUDA is
10.2, the command should be
pip3 install torch-scatter torch-cluster -f https://pytorch-geometric.com/whl/torch-1.8.0+cu102.html
Replace the versions in the above url according to your case. If you don’t have GPUs
or CUDA installed, treat the CUDA version in the url as
https://github.com/rusty1s/pytorch_scatter for more details about installation.
Finally, install TorchDrug via
pip3 install torchdrug
git clone https://github.com/DeepGraphLearning/torchdrug cd torchdrug pip install -r requirements.txt python setup.py install
For Windows, we need to additionally install Visual Studio to enable the JIT compilation. If you don’t have Visual Studio installed, you can get a minimal version of the build tools for Visual Studio at https://visualstudio.microsoft.com/downloads/.
For non-English systems, you must select English as the language for Visual Studio. Otherwise, the ANSI encoding of Windows will cause errors in Python.
We then setup a command-line environment for JIT compilation. Launch a PowerShell as administrator, and install the following extensions.
Install-Module Pscx -AllowClobber Install-Module VSSetup
Initialize Visual Studio in PowerShell with the following commands. We need to change the library path based on our own Python path.
Import-VisualStudioVars -Architecture x64 $env:LIB += ";C:\Program Files\Python37\libs"
The above commands should be executed for every PowerShell session. To setup this
for all PowerShell sessions, we can write them to the PowerShell profile. The
profile can be found by the
$profile command in PowerShell. You may need to
create the profile if you use it for the first time.