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  1. yank yank Public

    Forked from choderalab/yank

    An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

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    📐 Jekyll theme for building a personal site, blog, project documentation, or portfolio.

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    NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions

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  5. MONN MONN Public

    Forked from lishuya17/MONN

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

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