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gnns

Here are 106 public repositories matching this topic...

AspirinCode / papers-for-molecular-design-using-DL

List of Molecular and Material design using Generative AI and Deep Learning

reinforcement-learning material-design transformer lstm gan rnn vae drug-design diffusion molecular-design energy-based-model gnns deep-generative-models score-based-generative-models prompt-learning generative-ai

Updated Oct 30, 2024

junxia97 / awesome-pretrain-on-molecules

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

awesome molecule survey computational-chemistry drug-discovery transfer-learning gnns finetuning self-supervised-learning graph-representation-learning molecular-representation-learning drug-discovery-and-development chemical-language-models

Updated Jun 17, 2023

chingyaoc / ggnn.pytorch

A PyTorch Implementation of Gated Graph Sequence Neural Networks (GGNN)

graph pytorch gnns ggnn

Updated Jul 31, 2019
Python

yanx27 / 3DGNN_pytorch

3D Graph Neural Networks for RGBD Semantic Segmentation

point-cloud pytorch segmentation rgbd gnns

Updated Mar 16, 2019
Python

basiralab / GNNs-in-Network-Neuroscience

A review of papers proposing novel GNN methods with application to brain connectivity published in 2017-2020.

biomarker gans brain-connectivity geometric-deep-learning gnns network-neuroscience gnn graph-neural-network graph-fusion graph-synthesis graph-prediction brain-disorders graph-superresolution predictive-intelligence graph-integration graph-timeseries brain-gnn

Updated Feb 27, 2023

FedML-AI / FedGraphNN

FedGraphNN: A Federated Learning Platform for Graph Neural Networks with MLOps Support. The previous research version is accepted to ICLR'2021 - DPML and MLSys'21 - GNNSys workshops.

machine-learning deep-learning tensorflow pytorch gnns federated-learning distributed-learning graph-neural-networks federated-learning-framework fedml

Updated Dec 19, 2023

AspirinCode / awesome-AI4MolConformation-MD

List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

flow molecular-dynamics openmm transformer gan vae gromacs amber ppi active-learning lstm-neural-networks force-fields gnns enzymes llm neural-network-potentials proteinconformations

Updated Oct 30, 2024

PonderLY / PC-GNN

(WWW 2021) Source code of PC-GNN

gnns gnn-algorithm

Updated Dec 26, 2021
Python

tech-srl / bottleneck

Code for the paper: "On the Bottleneck of Graph Neural Networks and Its Practical Implications"

graph networks of the neural bottleneck on gnns over-squashing oversquashing

Updated Apr 25, 2022
Python

asarigun / awesome-denovo-papers

Awesome De novo drugs design papers

machine-learning deep-learning cheminformatics paper generative-model neural-networks drug-discovery drug-design gans gcn variational-autoencoder diffusion-model gnns deep-generative-models denovo-design target-based-drug

Updated Nov 21, 2023

gongchenghua / Papers-Graphs-with-Heterophily

A Survey of Learning from Graphs with Heterophily

deep-learning survey gnns self-supervised-learning contrastive-learning gnn-learning heterophily

Updated Oct 3, 2024

Graphlet-AI / graphml-class

Full Stack Graph Machine Learning: Theory, Practice, Tools and Techniques

machine-learning ai deep-learning graph-algorithms graphs full-stack machinelearning deeplearning network-analysis graphml gnns gnn

Updated Nov 6, 2024
Jupyter Notebook

shamim-hussain / egt

Edge-Augmented Graph Transformer

graphs transformer attention gnns self-attention graph-learning

Updated Jun 7, 2022
Python

KuroginQin / OpenTLP

[ACM Computing Surveys'23] Implementations or refactor of some temporal link prediction/dynamic link prediction methods and summary of related open resources for survey paper "Temporal Link Prediction: A Unified Framework, Taxonomy, and Review" which has been accepted by ACM Computing Surveys.

survey overview attention nmf link-prediction dynamic-graph-algorithm rnns weighted-graphs gnns inductive-learning dynamic-graphs temporal-link-prediction dynamic-graph-embedding dynamic-link-prediction

Updated Nov 10, 2024
Python

JockWang / Graph-in-Recommendation-Systems

GNNs in Recommendation Systems

graph recommendation-system papers graph-convolutional-networks gcn gnns graph-neural-networks gnn

Updated Jun 10, 2020

nianticlabs / relpose-gnn

[3DV21] Visual Camera Re-Localization Using Graph Neural Networks and Relative Pose Supervision, M. Türkoǧlu et al.

machine-learning computer-vision deep-learning eth-zurich ucl machine-vision pose-estimation niantic relocalisation relocalization gnns graph-neural-networks gnn relative-position 3dv2021

Updated Apr 21, 2023
Python

dmitrykazhdan / Representing-Programs-with-Graphs

Re-implementation and extension of the work described in "Learning to Represent Programs with Graphs"

microsoft machine-learning graphs microsoft-machine-learning microsoft-research gnns graph-neural-networks variable-naming ml-programming programming-ml

Updated May 14, 2019
Python

ytchx1999 / PyG-OGB-Tricks

Bags of Tricks in OGB (node classification) with GCNs.

graph-convolutional-networks gnns node-classification graph-neural-networks torch-geometric ogb open-graph-benchmark residual-connections

Updated Aug 11, 2021
Python

AndMastro / protein-ligand-GNN

This repository contains the code for the work on protein-ligand interaction with GNNs and XAI

protein-ligand-interactions gnns xai

Updated Jan 3, 2024
Python

wengroup / matten

MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

machine-learning gnns mechanical-properties equivariant-graph-neural-network elasticity-tensor materials-tensor

Updated Oct 28, 2024
Python

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