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molecular-graph-neural-networks

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NSLab-CUK / MVCIB

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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.

graph graph-neural-networks graph-representation-learning molecular-property-prediction molecular-graph-learning graph-foundation-model pretrained-graph-model graph-information-bottleneck self-supervised-graph-learning molecular-graph-neural-networks
  • Updated Nov 26, 2025
  • Python

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