16 results found Sort:

AspirinCode
papers-for-molecular-design-using-DL AspirinCode
82
569
gpl-3.0
22
List of molecular design using Generative AI and Deep Learning
gan rnn vae gnns lstm diffusion drug-design transformer generative-ai prompt-learning molecular-design energy-based-model deep-generative-models reinforcement-learning score-based-generative-models
Created 2023-02-28
624 commits to main branch, last one 10 days ago
junxia97
awesome-pretrain-on-molecules junxia97
47
464
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
basiralab
GNNs-in-Network-Neuroscience basiralab
27
201
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
FedML-AI
FedGraphNN FedML-AI
42
178
unknown
9
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 about a year ago
PonderLY
PC-GNN PonderLY
20
94
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
tech-srl
bottleneck tech-srl
21
91
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
asarigun
awesome-denovo-papers asarigun
10
78
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 7 months ago
Graphlet-AI
graphml-class Graphlet-AI
4
59
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
353 commits to main branch, last one about a month ago
gongchenghua
Awesome-Survey-Graphs-with-Heterophily gongchenghua
3
58
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
41 commits to main branch, last one a day ago
AspirinCode
awesome-AI4ProteinConformation-MD AspirinCode
6
49
gpl-3.0
1
List of protein (enzymes, antibody, and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning
gan llm ppi vae flow gnns amber openmm enzymes gromacs transformer active-learning molecular-dynamics lstm-neural-networks proteinconformations
Created 2024-04-10
66 commits to main branch, last one 10 days ago
KuroginQin
OpenTLP KuroginQin
8
43
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
20 commits to main branch, last one 6 months ago
shamim-hussain
egt shamim-hussain
8
40
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
nianticlabs
relpose-gnn nianticlabs
9
37
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
ytchx1999
PyG-OGB-Tricks ytchx1999
4
35
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 2 years ago
AndMastro
protein-ligand-GNN AndMastro
4
31
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 7 months ago
wengroup
matten wengroup
4
28
unknown
2
MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
gnns machine-learning elasticity-tensor mechanical-properties equivariant-graph-neural-network
Created 2023-07-03
59 commits to main branch, last one 5 days ago