#
message-passing-neural-network
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18 public repositories
matching this topic...
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
Updated
Jun 18, 2024
Python
Efficient Subgraph GNNs by Learning Effective Selection Policies (ICLR 2024)
Updated
Jun 13, 2024
Python
GNN trained on the ZINC dataset (graph-level regression)
Updated
Apr 26, 2024
Jupyter Notebook
GNN for predicting absorption spectra. Architecture uses Message Passing Framework to understand molecular features.
Updated
Feb 24, 2024
Jupyter Notebook
Official repository for Self-Attention Message Passing for Contrastive Few-Shot Learning
Updated
Feb 20, 2024
Python
A project utilizing graph neural network to predict BBBP, featuring a modular model architecture.
Updated
Dec 10, 2023
Jupyter Notebook
A collection of projects using graph neural networks implemented from first principles, and using the PyTorch Geometric library
Updated
Sep 14, 2023
Jupyter Notebook
Official repository for On Over-Squashing in Message Passing Neural Networks (ICML 2023)
Updated
Sep 4, 2023
Jupyter Notebook
Lorentz group equivariant autoencoders based on Lorentz Group Network
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Jun 14, 2023
Python
Measuring generalization properties of graph neural networks
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Jun 13, 2023
Python
Message Passing Neural Networks for Simplicial and Cell Complexes
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Jun 13, 2023
Python
Equivariant Subgraph Aggregation Networks (ICLR 2022 Spotlight)
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May 21, 2023
Python
Graph neural network autoencoders for jets in HEP
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Apr 6, 2023
Python
Understanding and Extending Subgraph GNNs by Rethinking their Symmetries (NeurIPS 2022 Oral)
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Jan 30, 2023
Python
GGPM - GraphNN Generation of Organic Photovoltaic Molecules
Updated
Mar 19, 2024
Python
Message-Passing Neural Network for Chemistry
Updated
Oct 13, 2022
Jupyter Notebook
unknown edge & node prediction , more
Updated
Sep 4, 2021
Julia
Graph Neural Network creation module, implemented in Tensorflow 2 with examples using the module and the iGNNition library for fast GNN prototyping.
Updated
Jun 17, 2021
Python
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