Installation

This package can be easily installed by running pip at package root path:

$ pip install -r requirements.txt
$ pip install -e .[benchmark]

The installation script already covers the following core dependencies:

• PyTorch (>=2.0 [1])

• PyTorch Geometric (>=2.5.3)

• TorchMetrics (>=1.0): only required for benchmark/ experiments.

• Optuna (>=3.4): only required for hyperparameter search in benchmark/ experiments.

Advanced Options

Installation can be specified by pip options. The following options can also be combined on demand.

Only pyg_spectral Package

Install without any options:

$ pip install -e .

Benchmark Experiments

Install with [benchmark] option:

$ pip install -e .[benchmark]

Docs Development

Install with [docs] option:

$ pip install -e .[docs]

C++ Backend

1. Ensure C++ 11 is installed.

$ gcc --version

2. Install with [cpp] option and environment variable PSFLAG_CPP=1:

$ export PSFLAG_CPP=1; pip install -e .[cpp]

[1]

Please refer to the official guide if a specific CUDA version is required for PyTorch.