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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 111 16

  2. ProtGNN ProtGNN Public

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

    Python 50 8

  3. FLDetector FLDetector Public

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

    Python 74 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 86 9

  6. Awesome-SBDD Awesome-SBDD Public

    Papers about Structure-based Drug Design (SBDD)

    82 6