Please follow the steps below to install DIG: Dive into Graphs.
We recommend you to create a virtual environment with conda and install DIG: Dive into Graphs in the virtual environment.
Install from pip¶
The key dependencies of DIG: Dive into Graphs are PyTorch (>=1.10.0), PyTorch Geometric (>=2.0.0), and RDKit.
Install PyTorch (>=1.10.0).
$ python -c "import torch; print(torch.__version__)" >>> 1.10.0
Install PyTorch Geometric (>=2.0.0).
$ python -c "import torch_geometric; print(torch_geometric.__version__)" >>> 2.0.0
Install DIG: Dive into Graphs.
pip install dive-into-graphs
After installation, you can check the version. You have successfully installed DIG: Dive into Graphs if no error occurs.
$ python >>> from dig.version import __version__ >>> print(__version__)
Install from source¶
If you want to try the latest features that have not been released yet, you can install dig from source.
git clone https://github.com/divelab/DIG.git cd DIG pip install .