Message Passing Neural Networks for Simplicial and Cell Complexes

Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)

Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)

🐼PANDA: Expanded Width-Aware Message Passing Beyond Rewiring, ICML 2024

Message-Passing Monte Carlo (MPMC)

Measuring generalization properties of graph neural networks

Official repository for On Over-Squashing in Message Passing Neural Networks (ICML 2023)

Lorentz group equivariant autoencoders based on Lorentz Group Network

Official repository for Self-Attention Message Passing for Contrastive Few-Shot Learning

Message-Passing Neural Network for Chemistry

Graph Neural Network creation module, implemented in Tensorflow 2 with examples using the module and the iGNNition library for fast GNN prototyping.

Master thesis: JAT (Jraph Attention Networks), a deep learning architecture to predict the potential energy and forces of molecules. Adapts Graph Attention Networks (GATv2) within the Message Passing Neural Networks framework to computational chemistry in JAX

🧬 Official implementation of Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks [ICML 2024]

GNN trained on the ZINC dataset (graph-level regression)

Graph neural network autoencoders for jets in HEP

unknown edge & node prediction , more

GGPM - GraphNN Generation of Organic Photovoltaic Molecules

A collection of projects using graph neural networks implemented from first principles, and using the PyTorch Geometric library

A project utilizing graph neural network to predict BBBP, featuring a modular model architecture.

Efficient Subgraph GNNs by Learning Effective Selection Policies (ICLR 2024)