DeepGraphLearning

A comprehensive collection of recent papers on graph deep learning

A powerful and flexible machine learning platform for drug discovery

GraphVite: A General and High-performance Graph Embedding System

A foundation model for knowledge graph reasoning

Graph Markov Neural Networks

GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)

Official implementation of Neural Bellman-Ford Networks (NeurIPS 2021)

Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

GraphAny: Fully-inductive Node Classification on Arbitrary Graphs

Official implementation of A* Networks

ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)

[ICML-23 ORAL] ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts

PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)

Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing

Official implementation of Graph Neural Network Query Executor (ICML 2022)

Pretrainable geometric graph neural network for antibody affinity maturation

Implementation of Self-supervised Graph-level Representation Learning with Local and Global Structure (ICML 2021).

Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)