Search Results - RepositoryStats

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

97

678

gpl-3.0

25

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

685 commits to main branch, last one a day ago

awesome-pretrain-on-molecules junxia97

51

496

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

215

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

12

120

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

189 commits to main branch, last one 3 days ago

PC-GNN PonderLY

21

97

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

22

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

Papers-Graphs-with-Heterophily gongchenghua

5

89

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

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

awesome-denovo-papers asarigun

10

86

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

66

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

369 commits to main branch, last one 5 days ago

OpenTLP KuroginQin

8

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 11 days ago

egt shamim-hussain

8

48

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

relpose-gnn nianticlabs

9

39

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

32

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

30

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 about a month ago

NeuroGNN USC-InfoLab

1

28

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 3 months ago

GraphARM caio-freitas

3

26

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 17 days ago