zetayue

Researcher | CS PhD | Interested in the Representation Learning on Graphs and Molecules

Weill Cornell Medicine & City University of New YorkNew York, NY

Pinned Repositories

Physics-aware-Multiplex-GNN
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"
Language:Python54 2 310
awesome-expressive-gnn
A collection of papers studying/improving the expressiveness of graph neural networks (GNNs)
0 0 00
blog
personal blog posts
Language:Python00
CPA
Source code for "Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation" (IJCAI 2020)
Language:Python16 4 15
DiffusionErrorAnalyzer
Python class to calculate ionic conductivity and its statistical error with AIMD data input
Language:Python1 0 00
Lab-wiki-Gitbook
Wikipage of Dr. Lei Xie's lab at Hunter College, CUNY
03
MXMNet
Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"
Language:Python70 2 1116
pytorch_geometric_cpaconv
Geometric Deep Learning Extension Library for PyTorch
Language:Python00

zetayue's Repositories

zetayue/MXMNet
Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"
Language:Python70 2 1116
zetayue/CPA
Source code for "Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation" (IJCAI 2020)
Language:Python16 4 15
zetayue/awesome-expressive-gnn
A collection of papers studying/improving the expressiveness of graph neural networks (GNNs)
0 0 00
zetayue/Lab-wiki-Gitbook
Wikipage of Dr. Lei Xie's lab at Hunter College, CUNY
03
zetayue/pytorch_geometric_cpaconv
Geometric Deep Learning Extension Library for PyTorch
Language:Python00
zetayue/cs228-material
Teaching materials for the probabilistic graphical models and deep learning classes at Stanford
Language:Jupyter Notebook
zetayue/cyber-markets
🚀 Toolchain for parsing of orders and trades
Language:Kotlin1 0
zetayue/dgcnn
zetayue/DGX-wiki
Wiki for using of DGX station
Language:Python
zetayue/fastai
The fast.ai deep learning library, lessons, and tutorials
Language:Jupyter Notebook
zetayue/GAT
Graph Attention Networks (https://arxiv.org/abs/1710.10903)
Language:Python2 0
zetayue/gcn
Implementation of Graph Convolutional Networks in TensorFlow
Language:Python2 0
zetayue/GEM
Language:Python2 0
zetayue/geometric-gnns
List of Geometric GNNs for 3D atomic systems
zetayue/Geometry-Deep-Learning-for-Drug-Discovery
Geometry Deep Learning for Drug Discovery and Life Science
zetayue/iclr2019
Reproduction of How Powerful are Graph Neural Networks? paper from ICLR 2019
Language:Python
zetayue/Interesting-DL-Materials
List of Interesting Deep Learning Materials
zetayue/ipfs
Peer-to-peer hypermedia protocol
1 0
zetayue/Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
zetayue/models
Models and examples built with TensorFlow
Language:Python
zetayue/pragmatic-programmer-zh
《Pragmatic Programmer》中文翻译
0 0
zetayue/prof_dev
Language:Python
zetayue/pyGAT
Pytorch implementation of the Graph Attention Network model by Veličković et. al (2017, https://arxiv.org/abs/1710.10903)
Language:Python
zetayue/pygcn
Graph Convolutional Networks in PyTorch
Language:Python
zetayue/pytorch-exercise
PyTorch Exercise Codes for Deep Learning Researchers
Language:Jupyter Notebook
zetayue/pytorch_structure2vec
pytorch implementation of structure2vec (https://arxiv.org/abs/1603.05629)
Language:Python3 0
zetayue/sphinx_rtd_theme
Sphinx theme for readthedocs.org
Language:CSS
zetayue/tensor2tensor
A library for generalized sequence to sequence models
Language:Jupyter Notebook
zetayue/tensorboardX
tensorboard for pytorch (and chainer, mxnet, numpy, ...)
Language:Python
zetayue/wiZAN
Prediction of chemical-protein association using wiZAN and other algorithms