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1. MGSSL MGSSL Public

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

   Python 109 16

2. ProtGNN ProtGNN Public

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

   Python 49 8

3. FLDetector FLDetector Public

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

   Python 73 15

4. FLAG FLAG Public

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

   Python 60 8

5. PocketGen PocketGen Public

   Implementation of PocketGen: Generating Full-Atom Ligand-Binding Protein Pockets

   Python 81 9

6. Awesome-SBDD Awesome-SBDD Public

   Papers about Structure-based Drug Design (SBDD)

   77 7