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1. InteractionGraphNet InteractionGraphNet Public

   InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Prediction and Large-scale Structure-based Virtual Screening

   47 9

2. DeepPpIScore DeepPpIScore Public

   Python 7 1

3. IGN IGN Public

   InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions

   Python 32 2

4. MetalProGNet MetalProGNet Public

   Python 13 2

5. SuperAtomicCharge SuperAtomicCharge Public

   Out-of-the-box Deep Learning Prediction of Atomic Partial Charges by Graph Representation and Transfer Learning

   Python 8 4