Graph Neural Networks Python Packages

torch-geometric

Graph Neural Network Library for PyTorch

jraph

A Graph Neural Network Library in Jax

openequivariance

OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

recbole

A unified, comprehensive and efficient recommendation library

ogb

Benchmark datasets, data loaders, and evaluators for graph machine learning

pyg-nightly

Graph Neural Network Library for PyTorch

torch-cluster

PyTorch Extension Library of Optimized Graph Cluster Algorithms

dgllife

Python package for graph neural networks in chemistry and biology

spektral

Graph Neural Networks with Keras and Tensorflow 2.

torch-spline-conv

Implementation of the Spline-Based Convolution Operator of SplineCNN in PyTorch

dglgo

Python package built to ease deep learning on graph, on top of existing DL frameworks.

analysisg

A project which aims to abstract the analysis pipeline of a Particle Physics Analysis at ATLAS.

pyhgf

PyHGF: A neural network library for predictive coding

torch-geometric-temporal

PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models (CIKM 2021)

ktrain

ktrain is a Python library that makes deep learning and AI more accessible and easier to apply

dress-graph

DRESS: A Continuous Framework for Structural Graph Refinement

graphein

Protein Graph Library

city2graph

Transform geospatial relations into graphs for Graph Neural Networks and network analysis

graphscope-client

🔨 🍇 💻 🚀 GraphScope: A One-Stop Large-Scale Graph Computing System from Alibaba | 一站式图计算系统

pygod

A Python Library for Graph Outlier Detection (Anomaly Detection)

neuralogic

PyNeuraLogic lets you use Python to create Differentiable Logic Programs

deeprobust

A pytorch adversarial library for attack and defense methods on images and graphs