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alignn

Atomistic Line Graph Neural Network

bench-dgnn

causal-ml

Must-read papers and resources related to causal inference and machine (deep) learning

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

competition-baseline

数据科学竞赛知识、代码、思路

conditional_diffusion_mnist

Conditional diffusion model to generate MNIST. Minimal script. Based on 'Classifier-Free Diffusion Guidance'.

d2l-zh

《动手学深度学习》：面向中文读者、能运行、可讨论。中英文版被全球200所大学采用教学。

deepinsight

A methodology to transform a non-image data to an image for convolution neural network architecture

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

diffusion-atoms

a very similar work with crydiff on the base diffusion model

evolvegcn

Code for EvolveGCN: Evolving Graph Convolutional Networks for Dynamic Graphs

gcn-gan-pytorch

A pytorch implemention of GCN-GAN for temporal link prediction.

gfmpapers

Must-read papers on graph foundation models (GFMs)

gnn-

gnn-based-traffic-prediction

graphneuralnetwork

《深入浅出图神经网络：GNN原理解析》配套代码

graphormer

This is the official implementation for "Do Transformers Really Perform Bad for Graph Representation?".

gsnop

Official code implementation for WSDM 23 paper Graph Sequential Neural ODE Process for Link Prediction on Dynamic and Sparse Graphs.

htp_md_polymer

Shared repo for trajectory analysis and infrastructure development

hugging-face-transformer-zh-tour

首先是中文的翻译啦，然后是模型用到中文上面

ldg

PyTorch code for "Learning Temporal Attention in Dynamic Graphs with Bilinear Interactions"

linkpred

Simple yet efficient algorithms for Link Prediction in Dynamic Graphs

lvdm

LVDM: Latent Video Diffusion Models for High-Fidelity Long Video Generation

matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

mattime

natural-and-artificial-dynamics-in-gnns-a-tutorial

Tutorial of GNN Dynamics, WSDM' 2023

neo-gnns

Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link Prediction

pytorch-transformers

👾 A library of state-of-the-art pretrained models for Natural Language Processing (NLP)