Installation

Please follow the steps below to install DIG: Dive into Graphs.

Note

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 (>=1.6.0), PyTorch Geometric (>=1.6.0), and RDKit.

1. Install PyTorch (>=1.6.0).

   $ python -c "import torch; print(torch.__version__)"
   >>> 1.6.0
   

2. Install PyTorch Geometric (>=1.6.0).

   $ python -c "import torch_geometric; print(torch_geometric.__version__)"
   >>> 1.6.0
   

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 https://github.com/divelab/DIG.git
cd DIG
pip install .