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Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular property prediction and developed by NS Lab, CUK based on pure PyTorch backend.
Multi-View Conditional Information Bottleneck (MVCIB) is a novel architecture for pre-training Graph Neural Networks on 2D and 3D molecular structures and developed by NS Lab, CUK based on pure PyTorch backend.