gnns

There are 2 repositories under gnns topic.

AspirinCode / papers-for-molecular-design-using-DL
List of molecular design using Generative AI and Deep Learning
generative-ai molecular-design deep-generative-models drug-design diffusion gan gnns lstm reinforcement-learning rnn transformer vae energy-based-model prompt-learning score-based-generative-models
526
chingyaoc / ggnn.pytorch
A PyTorch Implementation of Gated Graph Sequence Neural Networks (GGNN)
ggnn gnns graph pytorch
Language:Python 455
junxia97 / awesome-pretrain-on-molecules
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
gnns transfer-learning drug-discovery molecule self-supervised-learning survey awesome graph-representation-learning finetuning molecular-representation-learning computational-chemistry drug-discovery-and-development chemical-language-models
453
yanx27 / 3DGNN_pytorch
3D Graph Neural Networks for RGBD Semantic Segmentation
pytorch segmentation rgbd gnns point-cloud
Language:Python 227
basiralab / GNNs-in-Network-Neuroscience
A review of papers proposing novel GNN methods with application to brain connectivity published in 2017-2020.
graph-neural-network graph-prediction biomarker network-neuroscience brain-connectivity brain-disorders geometric-deep-learning gans predictive-intelligence graph-integration graph-fusion graph-synthesis graph-superresolution graph-timeseries gnn gnns brain-gnn
197
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.
graph-neural-networks gnns pytorch fedml federated-learning-framework federated-learning tensorflow deep-learning distributed-learning machine-learning
177
tech-srl / bottleneck
Code for the paper: "On the Bottleneck of Graph Neural Networks and Its Practical Implications"
on the bottleneck of graph neural networks gnns over-squashing oversquashing
Language:Python 91
PonderLY / PC-GNN
(WWW 2021) Source code of PC-GNN
gnn-algorithm gnns
Language:Python 90
asarigun / awesome-denovo-papers
Awesome De novo drugs design papers
deep-generative-models denovo-design gans cheminformatics deep-learning machine-learning neural-networks paper diffusion-model gcn gnns drug-design drug-discovery generative-model variational-autoencoder target-based-drug
75
Graphlet-AI / graphml-class
Full Stack Graph Machine Learning: Theory, Practice, Tools and Techniques
ai deep-learning deeplearning full-stack gnn gnns graph-algorithms graphml graphs machine-learning machinelearning network-analysis
Language:Jupyter Notebook 57
gongchenghua / Awesome-Survey-Graphs-with-Heterophily
A Survey of Learning from Graphs with Heterophily
contrastive-learning deep-learning gnn-learning gnns heterophily self-supervised-learning survey
56
JockWang / Graph-in-Recommendation-Systems
GNNs in Recommendation Systems
gcn gnn gnns graph graph-convolutional-networks graph-neural-networks papers recommendation-system
44
AspirinCode / awesome-AI4ProteinConformation-MD
List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
active-learning amber enzymes flow gan gnns gromacs llm lstm-neural-networks molecular-dynamics openmm ppi proteinconformations transformer vae
43
shamim-hussain / egt
Edge-Augmented Graph Transformer
transformer graphs attention gnns graph-learning self-attention
Language:Python 41
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.
dynamic-graph-algorithm dynamic-graph-embedding dynamic-graphs dynamic-link-prediction inductive-learning link-prediction overview survey temporal-link-prediction weighted-graphs attention gnns nmf rnns
Language:Python 38
dmitrykazhdan / Representing-Programs-with-Graphs
Re-implementation and extension of the work described in "Learning to Represent Programs with Graphs"
machine-learning graph-neural-networks gnns microsoft microsoft-research microsoft-machine-learning graphs variable-naming ml-programming programming-ml
Language:Python 37
nianticlabs / relpose-gnn
[3DV21] Visual Camera Re-Localization Using Graph Neural Networks and Relative Pose Supervision, M. Türkoǧlu et al.
computer-vision machine-learning 3dv2021 niantic eth-zurich ucl gnn gnns graph-neural-networks deep-learning machine-vision relocalization relocalisation relative-position pose-estimation
Language:Python 37
ytchx1999 / PyG-OGB-Tricks
Bags of Tricks in OGB (node classification) with GCNs.
ogb graph-neural-networks graph-convolutional-networks open-graph-benchmark node-classification residual-connections gnns torch-geometric
Language:Python 34
AndMastro / protein-ligand-GNN
This repository contains the code for the work on protein-ligand interaction with GNNs and XAI
gnns protein-ligand-interactions xai
Language:Python 27
Graphlet-AI / graphlet
PyPi module for Graphlet AI Knowledge Graph Factory
ai big-data entity-resolution gnns graph-algorithms graph-analytics graphs network pyspark
Language:Python 27
wengroup / matten
MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
equivariant-graph-neural-network gnns machine-learning mechanical-properties elasticity-tensor
Language:Python 24
cszhangzhen / MVPool
Hierarchical Multi-View Graph Pooling with Structure Learning (TKDE-2021)
graph-classification node-classification graph-pooling gnns multi-view
Language:Python 21
SherylHYX / SSSNET_Signed_Clustering
Official code for the SDM2022 paper -- SSSNET: Semi-Supervised Signed Network Clustering.
clustering gnns pytorch signed-networks signed-network-embedding deep-learning social-network-analysis graph-algorithms graph-neural-networks
Language:Jupyter Notebook 19
qbxlvnf11 / HMLET
HMLET (Hybrid-Method-of-Linear-and-non-linEar-collaborative-filTering-method)
recommender-system graph gnns linear nonlinear gating-networks
Language:Python 18
Samyu0304 / Improving-Subgraph-Recognition-with-Variation-Graph-Information-Bottleneck-VGIB-
graph neural networks, information theory, AI for Sciences
cvpr2022 gnns interpretable
Language:Python 18
asarigun / GraphMixerNetworks
Official Implementation of Graph Mixer Networks
geometric-deep-learning gnns graphmixernets mlp-mixer
Language:Python 15
Chen-Cai-OSU / GNN-Over-Smoothing
A Note On Over-Smoothing for Graph Neural Network
gnns graph-neural-networks over-smoothing
Language:Python 15
ReFactorGNN
yihong-chen / ReFactorGNN
Implementation for ReFactor GNNs
gnns inductive-learning knowledge-graph message-passing
Language:Python 15
sisinflab / LoG-2023-GNNs-RecSys
Presented as tutorial at the Second Learning on Graphs Conference (LoG 2023)
deep-learning gnns graph-neural-networks learning-on-graphs machine-learning multimodal-deep-learning pytorch pytorch-geometric recommender-system
Language:Jupyter Notebook 14
adrianSRoman / DeepWaveTorch
DeepWave: A Recurrent Neural-Network for Real-Time Acoustic Imaging (PyTorch implementation)
acoustic-imaging deep-learning gnns graphsignalprocessing pytorch pytorch-implementation sound-localization acoustic-camera
Language:Jupyter Notebook 12
basiralab / AGSR-Net
Brain graph super-resolution using graph neural networks.
super-resolution graphs gnns gan graph-super-resolution brain-network neuroscience graph-neural-network spectral-graph-theory high-resolution-network low-resolution-network
Language:Python 11
Pabloo22 / gnn_scheduler
Solving the Job-Shop Scheduling Problem (JSSP) with Graph Neural Networks (GNNs).
deep-learning gan generative-adversarial-network gnns graph-neural-networks job-shop-scheduling job-shop-scheduling-problem reinforcement-learning
Language:Jupyter Notebook 10
AspirinCode / GENiPPI
Interface-aware molecular generative framework for protein-protein interaction modulators
cwgan-gp drug-design genippi gnns molecular-generative-models protein-protein-interaction protein-protein-interface qed qeppi
Language:Jupyter Notebook 9
basiralab / HADA
HADA (Hiearachical Adversarial Domain Alignment) for brain graph prediction and classification.
gcn-architecture graph-convolutional-networks geometric-deep-learning hierarchical-domain-alignment deep-graph-alignment graph-alignment network-neuroscience brain-graphs adversarial-graph-prediction graph-synthesis graph-prediction graph-classification gnns hada graph-neural-networks
Language:Python 9
jkminder / SALSA-CLRS
Implementation of "SALSA-CLRS: A Sparse and Scalable Benchmark for Algorithmic Reasoning". SALSA-CLRS is an extension to the original clrs package, prioritizing scalability and the utilization of sparse representations. It provides pytorch based PyG datasets and dataloaders.
benchmark gnns
Language:Python 9
caio-freitas / GraphARM
An implementation of the Autoregressive Diffusion Model for Graph Generation from [Kong et al. 2023]
diffusion diffusion-models gnns graphs
Language:Python 8

gnns

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

chingyaoc / ggnn.pytorch

junxia97 / awesome-pretrain-on-molecules

yanx27 / 3DGNN_pytorch

basiralab / GNNs-in-Network-Neuroscience

FedML-AI / FedGraphNN

tech-srl / bottleneck

PonderLY / PC-GNN

asarigun / awesome-denovo-papers

Graphlet-AI / graphml-class

gongchenghua / Awesome-Survey-Graphs-with-Heterophily

JockWang / Graph-in-Recommendation-Systems

AspirinCode / awesome-AI4ProteinConformation-MD

shamim-hussain / egt

KuroginQin / OpenTLP

dmitrykazhdan / Representing-Programs-with-Graphs

nianticlabs / relpose-gnn

ytchx1999 / PyG-OGB-Tricks

AndMastro / protein-ligand-GNN

Graphlet-AI / graphlet

wengroup / matten

cszhangzhen / MVPool

SherylHYX / SSSNET_Signed_Clustering

qbxlvnf11 / HMLET

Samyu0304 / Improving-Subgraph-Recognition-with-Variation-Graph-Information-Bottleneck-VGIB-

asarigun / GraphMixerNetworks

Chen-Cai-OSU / GNN-Over-Smoothing

yihong-chen / ReFactorGNN

sisinflab / LoG-2023-GNNs-RecSys

adrianSRoman / DeepWaveTorch

basiralab / AGSR-Net

Pabloo22 / gnn_scheduler

AspirinCode / GENiPPI

basiralab / HADA

jkminder / SALSA-CLRS

caio-freitas / GraphARM