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  • Shanghai Jiao Tong University

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  1. MSM_construction_and_validation MSM_construction_and_validation Public

    A toy model for construction and validation of MSMs based on MD simulation trajectories.

    Python 1

  2. ED2Mol ED2Mol Public

    Electron-density-informed effective and reliable de novo molecular design and optimization with ED2Mol

    Python 118 16