message-passing-neural-network

There are 2 repositories under message-passing-neural-network topic.

twitter-research / cwn
Message Passing Neural Networks for Simplicial and Cell Complexes
cell-complex-neural-networks cw-networks graph-neural-networks message-passing-neural-network simplicial-neural-networks
Language:Python 142
beabevi / ESAN
Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)
equivariance graph-neural-networks invariance message-passing-neural-network subgraph
Language:Python 80
beabevi / SUN
Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)
equivariance graph-neural-networks message-passing-neural-network subgraph
Language:Python 38
VirtuosoResearch / Generalization-in-graph-neural-networks
Measuring generalization properties of graph neural networks
graph-neural-networks hessian fine-tuning generalization-gap message-passing-neural-network
Language:Python 12
lrnzgiusti / on-oversquashing
Official repository for On Over-Squashing in Message Passing Neural Networks (ICML 2023)
graph-attention-networks graph-convolutional-networks graph-isomorphism-networks graph-neural-networks graph-sage message-passing-neural-network oversquashing
Language:Jupyter Notebook 11
ojss / SAMPTransfer
Official repository for Self-Attention Message Passing for Contrastive Few-Shot Learning
ai contrastive-learning few-shot-learning graph-neural-networks message-passing-neural-network self-supervised-learning unsupervised-few-shot-learning unsupervised-learning
Language:Python 9
zichunhao / lgn-autoencoder
Lorentz group equivariant autoencoders based on Lorentz Group Network
autoencoder equivariance physics lorentz-group-network deep-neural-networks lorentz-transformations anomaly-detection unsupervised-learning graph-neural-networks message-passing-neural-network permutation-invariance high-energy-physics particle-physics
Language:Python 9
rangsimanketkaew / mpnn
Message-Passing Neural Network for Chemistry
message-passing-neural-network neural-network quantum-chemistry
Language:Jupyter Notebook 5
rmongeca / gnn
Graph Neural Network creation module, implemented in Tensorflow 2 with examples using the module and the iGNNition library for fast GNN prototyping.
gnn quantum-chemistry-qm9 graph-neural-network tensorflow graphs radio-resource-management scalable-radio-resource qm9 quantum-chemistry mpnn message-passing-neural-network graph-convolutional-networks
Language:Python 4
MicheleCattaneo / ZINC_GNN
GNN trained on the ZINC dataset (graph-level regression)
gnn graph-neural-network message-passing-neural-network molecules zinc
Language:Jupyter Notebook 2
jaywyawhare / Molecular-Classification
A project utilizing graph neural network to predict BBBP, featuring a modular model architecture.
message-passing-neural-network molecular-biology
Language:Jupyter Notebook 1
petermchale / gnn
A collection of projects using graph neural networks implemented from first principles, and using the PyTorch Geometric library
geometric-deep-learning graph-attention-networks graph-convolutional-networks graph-neural-networks message-passing-neural-network pytorch pytorch-geometric pytorch-lightning
Language:Jupyter Notebook 1
stefanhoedl / JAT_potential
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
attention computational-chemistry deep-learning graph-attention-networks jax message-passing-neural-network molecular-dynamics molecules potential
Language:Python 1
zichunhao / gnn-jet-autoencoder
Graph neural network autoencoders for jets in HEP
anomaly-detection autoencoder compression graph-neural-network graph-neural-networks machine-learning message-passing-neural-network particle-physics pytorch deep-learning high-energy-physics permutation-equivariant permutation-invariance
Language:Python 1
beabevi / policy-learn
Efficient Subgraph GNNs by Learning Effective Selection Policies (ICLR 2024)
graph-neural-networks message-passing-neural-network subgraphs
0
MultiTrickFox / Graph_Message_Passer
unknown edge & node prediction , more
graph-neural-network message-passing-neural-network
Language:Julia 0
shubhamkrpandey19 / gnn_predicting_absorption_spectra
GNN for predicting absorption spectra. Architecture uses Message Passing Framework to understand molecular features.
absorption-spectra graph-neural-networks message-passing-neural-network
Language:Jupyter Notebook 0
quocdat32461997 / ggpm
GGPM - GraphNN Generation of Organic Photovoltaic Molecules
graph-neural-networks material-design message-passing-neural-network molecule-generation vae
Language:Python