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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 112 16

2. FLDetector FLDetector Public

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

   Python 74 15

3. PocketGen PocketGen Public

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

   Python 111 10

4. FLAG FLAG Public

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

   Python 61 8

5. ProtGNN ProtGNN Public

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

   Python 50 8

6. Awesome-SBDD Awesome-SBDD Public

   Papers about Structure-based Drug Design (SBDD)

   86 7