AI Lab, Westlake University's repositories
Awesome-Mixup
[Survey] Awesome List of Mixup Augmentation and Beyond (https://arxiv.org/abs/2409.05202)
Backbone-vs-Optimizer
A Decade’s Battle on Bias of Visual Backbone and Optimizer
AI-Bio
CAIRI github io
awesome-graph-self-supervised-learning
Code for TKDE paper "Self-supervised learning on graphs: Contrastive, generative, or predictive"
awesome-protein-representation-learning
Awesome Protein Representation Learning
CBGBench
Official code repository of CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
D3FG
This is the official repository of paper - Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration
diffbp
This is the official repository of thr paper DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding.
DiscoGNNs
[ICDE 2024]Official implementation of ICDE 2024 paper "DiscoGNN: A Sample-Efficient Framework for Self-Supervised Graph Representation Learning"
FF-G2M
Code for AAAI 2023 (Oral) paper "Extracting Low-/High- Frequency Knowledge from Graph Neural Networks and Injecting it into MLPs: An Effective GNN-to-MLP Distillation Framework"
GeoAB
This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)
GraphsGPT
The official implementation of the ICML'24 paper "A Graph is Worth K Words: Euclideanizing Graph using Pure Transformer".
HGMD
Code fo CIKM2024 paper "Teach Harder, Learn Poorer: Rethinking Hard Sample Distillation for GNN-to-MLP Knowledge Distillation"
MAPE-PPI
Code for ICLR 2024 (Spotlight) paper "MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding"
OpenSTL
OpenSTL: A Comprehensive Benchmark of Spatio-Temporal Predictive Learning
OT-Cleaner
[ICASSP 2022]OT-Cleaner: Label Correction as Optimal Transport
ppflow
This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)
Prompt-DDG
Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning"
ProteinInvBench
The official implementation of the NeurIPS'23 paper ProteinInvBench: Benchmarking Protein Design on Diverse Tasks, Models, and Metrics
RFold
The official implementation of the ICML'24 paper RFold: Deciphering RNA Secondary Structure Prediction: A Probabilistic K-Rook Matching Perspective..
TGS
Code for TKDE paper "A Teacher-Free Graph Knowledge Distillation Framework with Dual Self-Distillation"
VQDNA
[ICML 2024] VQDNA: Unleashing the Power of Vector Quantization for Multi-Species Genomic Sequence Modeling