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  1. MONN MONN Public

    MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

    Python 100 30

  2. PocketAnchorData PocketAnchorData Public

    Data processing for PocketAnchor

    Jupyter Notebook 6 3

  3. FAST FAST Public

    Forked from LLNL/FAST

    Fusion models for Atomic and molecular STructures (FAST)

    Python 1

  4. CSDS CSDS Public

    Forked from tiantz17/CSDS

    Python

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February 2025

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