zaixizhang

PocketGen. PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

Awesome-SBDD. Papers about Structure-based Drug Design (SBDD)

STELLA. STELLA: Self-Evolving LLM Agent for Biomedical Research

MGSSL. Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"

FLDetector. The official code of KDD22 paper "FLDetecotor: Defending Federated Learning Against Model Poisoning Attacks via Detecting Malicious Clients"

FLAG. Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"

ANS-GT. NeurIPS'22 Spotlight paper "Hierarchical Graph Transformer with Adaptive Node Sampling"

ProtGNN. Official implementation of AAAI'22 paper "ProtGNN: Towards Self-Explaining Graph Neural Networks"

FAIR. NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement

graphbackdoor. A PyTorch implementation of "Backdoor Attacks to Graph Neural Networks" (SACMAT'21)

Graph_Transformer. A pytorch implementation of graph transformer for node classification

RNAGenesis. RNAGenesis: A Generalist Foundation Model for Functional RNA Therapeutics

DrugGPS_ICML23. Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"

LabOS. Official Code of LabOS: the AI-XR Co-Scientist that Sees and Works with Humans

CBD. Official Inplementation of CVPR23 paper "Backdoor Defense via Deconfounded Representation Learning"

GeneBreaker. Jailbreak Evo

FoldMark. Implementation of FoldMark: Safeguarding Protein Structure Generative Models with Distributional and Evolutionary Watermarking

PocketFlow. Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"

GraphMI. Official Pytorch implementation of IJCAI'21 paper "GraphMI: Extracting Private Graph Data from Graph Neural Networks"

MolCode. Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design

FedGT. FedGT: Federated Node Classification with Scalable Graph Transformer

FlexSBDD. Implementation of NeurIPS24 paper "FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling"

BioClaw. TypeScript

SSL_OSC. Graph Self-Supervised Learning for Optoelectronic Properties of Organic Semiconductors

FragGen. This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry

Protein_Editing. Protein Editing