geometric-gnn-dojo
pytorch_geometric
| geometric-gnn-dojo | pytorch_geometric | |
|---|---|---|
| 4 | 1 | |
| 426 | 14,506 | |
| - | - | |
| 3.8 | 9.8 | |
| 11 months ago | about 2 years ago | |
| Jupyter Notebook | Python | |
| MIT License | MIT License |
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geometric-gnn-dojo
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Gentle Introduction to Geometric Graph Neural Networks
Geometric GNNs are an emerging class of GNNs for spatially embedded graphs in scientific and engineering applications, s.a. biomolecular structure, material science, and physical simulations. Notable examples include SchNet, DimeNet, Tensor Field Networks, and E(n) Equivariant GNNs.
https://github.com/chaitjo/geometric-gnn-dojo/blob/main/geom...
This notebook and repository aims to serve as a 'Geometric GNNs 101' introduction for newcomers.
We walk through the basics of GNNs, Geometric Deep Learning, and the PyTorch Geometric library for implementing these concepts.
Our goal is to help students understand how theory/equations connect to real code.
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[R] On the Expressive Power of Geometric Graph Neural Networks
Found relevant code at https://github.com/chaitjo/geometric-gnn-dojo + all code implementations here
pytorch_geometric
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Introduction to PyTorch
PyTorch Geometric
What are some alternatives?
graphein - Protein Graph Library
pytorch_geometric - Graph Neural Network Library for PyTorch
Pytorch - Tensors and Dynamic neural networks in Python with strong GPU acceleration
pytorch-lightning - The lightweight PyTorch wrapper for high-performance AI research. Scale your models, not the boilerplate. [Moved to: https://github.com/PyTorchLightning/pytorch-lightning]
PyNeuraLogic - PyNeuraLogic lets you use Python to create Differentiable Logic Programs
tutorials - PyTorch tutorials.
GNNs-Recipe - 🟠A study guide to learn about Graph Neural Networks (GNNs)
PyTorch-NLP - Basic Utilities for PyTorch Natural Language Processing (NLP)
molecule-generation - Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
graphlearn-for-pytorch - A GPU-accelerated graph learning library for PyTorch, facilitating the scaling of GNN training and inference.
ogb - Benchmark datasets, data loaders, and evaluators for graph machine learning
GreatX - A graph reliability toolbox based on PyTorch and PyTorch Geometric (PyG).