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1. PocketGen PocketGen Public

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

   Python 138 13

2. MGSSL MGSSL Public

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

   Python 114 16

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 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)

   91 8