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.

  1. Install PyTorch (>=1.10.0).

    $ python -c "import torch; print(torch.__version__)"
    >>> 1.10.0
  2. Install PyTorch Geometric (>=2.0.0).

    $ python -c "import torch_geometric; print(torch_geometric.__version__)"
    >>> 2.0.0
  3. 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
cd DIG
pip install .