Search Results - RepositoryStats

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

97

703

gpl-3.0

27

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

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

Created 2023-02-28

705 commits to main branch, last one a day ago

awesome-pretrain-on-molecules junxia97

53

502

unknown

19

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

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

Created 2021-12-10

94 commits to main branch, last one about a year ago

GNNs-in-Network-Neuroscience basiralab

28

220

unknown

4

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

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

Created 2021-06-07

9 commits to main branch, last one about a year ago

FedGraphNN FedML-AI

42

180

unknown

10

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.

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

Created 2021-03-10

216 commits to main branch, last one 2 years ago

awesome-AI4MolConformation-MD AspirinCode

13

127

gpl-3.0

4

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

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

Created 2024-04-10

208 commits to main branch, last one a day ago

Papers-Graphs-with-Heterophily gongchenghua

5

103

unknown

1

A Survey of Learning from Graphs with Heterophily

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

Created 2023-12-19

83 commits to main branch, last one 14 days ago

PC-GNN PonderLY

21

99

unknown

1

(WWW 2021) Source code of PC-GNN

gnns gnn-algorithm

Created 2021-07-04

8 commits to main branch, last one 2 years ago

bottleneck tech-srl

21

93

mit

6

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

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

Created 2020-09-04

6 commits to main branch, last one 2 years ago

awesome-denovo-papers asarigun

11

85

unknown

5

Awesome De novo drugs design papers

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

Created 2022-05-06

27 commits to main branch, last one about a year ago

graphml-class Graphlet-AI

5

72

mit

0

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

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

Created 2023-05-22

413 commits to main branch, last one 10 days ago

egt shamim-hussain

8

49

mit

4

Edge-Augmented Graph Transformer

gnns graphs attention transformer graph-learning self-attention

Created 2021-09-13

18 commits to master branch, last one 2 years ago

AT-DGNN xmh1011

1

49

apache-2.0

2

[DEAP] Attention-Based Temporal Learner With Dynamical Graph Neural Network for EEG Emotion Recognition.

eeg gnns dgcnn deap-dataset emotion-recognition

Created 2024-04-10

36 commits to main branch, last one 12 days ago

OpenTLP KuroginQin

9

48

unknown

3

[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...

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

Created 2022-06-21

22 commits to main branch, last one about a month ago

relpose-gnn nianticlabs

9

40

other

5

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

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

Created 2021-11-02

44 commits to main branch, last one about a year ago

PyG-OGB-Tricks ytchx1999

4

36

mit

1

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

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

Created 2021-04-20

33 commits to main branch, last one 3 years ago

protein-ligand-GNN AndMastro

5

33

gpl-3.0

1

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

xai gnns protein-ligand-interactions

Created 2023-03-11

44 commits to main branch, last one about a year ago

matten wengroup

4

32

unknown

2

MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

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

Created 2023-07-03

70 commits to main branch, last one 2 months ago

NeuroGNN USC-InfoLab

1

29

mit

1

NeuroGNN is a state-of-the-art framework for precise seizure detection and classification from EEG data. It employs dynamic Graph Neural Networks (GNNs) to capture intricate spatial, temporal, semanti...

Created 2023-05-22

51 commits to main branch, last one 4 months ago

GraphARM caio-freitas

4

29

unknown

2

An implementation of the Autoregressive Diffusion Model for Graph Generation from [Kong et al. 2023]

gnns graphs diffusion diffusion-models

Created 2024-01-31

9 commits to master branch, last one about a month ago