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  1. MSCoD MSCoD Public

    Official implementation of "MSCoD: An Enhanced Bayesian Updating Framework with Multi-Scale Information Bottleneck and Cooperative Attention for Structure-Based Drug Design".

    Jupyter Notebook 1

  2. GraphDTA-MSCoD GraphDTA-MSCoD Public

    Python

  3. RUMC RUMC Public

    Official implementation of "RUMC: Reward-Guided Monte Carlo Sampling with Uncertainty for De Novo Molecular Generation".

    Python