zaixizhang
zaixizhang
MGSSL
Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
ProtGNN
Official implementation of AAAI'22 paper "ProtGNN: Towards Self-Explaining Graph Neural Networks"
graphbackdoor
A PyTorch implementation of "Backdoor Attacks to Graph Neural Networks" (SACMAT'21)
FLAG
Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
PocketGen
Implementation of PocketGen: Generating Full-Atom Ligand-Binding Protein Pockets
Awesome-SBDD
Papers about Structure-based Drug Design (SBDD)
DrugGPS_ICML23
Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
FLDetector
The official code of KDD22 paper "FLDetecotor: Defending Federated Learning Against Model Poisoning Attacks via Detecting Malicious Clients"