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Installation Guide

Welcome to the installation guide for torch_structure. To ensure a smooth installation process, please follow the steps below.

Prerequisites

torch_structure requires the following dependencies:

  • PyTorch
  • PyTorch Geometric

Warning

Both PyTorch and PyTorch Geometric require specific configurations depending on your system (e.g., CUDA version if you have a GPU). As a result, these cannot be automatically installed as part of the package dependencies and must be installed manually.

Installation Steps

To avoid conflicts with other Python packages and to maintain a clean working environment, we highly recommend creating a new Python virtual environment.

For instance, with conda: 

conda create -n torch_structure_env python=3.12
conda activate torch_structure_env
conda install pip

or, with uv: 

uv venv --python 3.12

2. Install PyTorch

Visit the PyTorch Installation Guide to find the correct command for your system. We recommend installing the latest stable version.

For example, if using CUDA 12.8:

pip install torch torchvision --index-url https://download.pytorch.org/whl/cu128

3. Install PyTorch Geometric

Visit the PyTorch Geometric Installation Guide and install PyTorch Geometric and its optional dependencies using the correct command for your system and installed PyTorch version.

For example, if using PyTorch 2.8.0 and CUDA 12.8:

pip install torch_geometric
pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.8.0+cu128.html

4. Install torch_structure

Install the torch_structure package via pip:

pip install torch_structure

Alternative: Install directly from GitHub

To install the very latest version of torch_structure, clone the GitHub repository:

git clone https://github.com/lazlo-bleker/torch-structure.git

Followed by creating an editable installation using the following command from within the cloned repository:

pip install -e .

5. Verify the Installation

To verify the installation, open Python and run the following:

import torch_structure as ts

If no errors occur you have succesfully installed torch_structure.