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  1. freeenergylab/FEP-SPell-ABFE freeenergylab/FEP-SPell-ABFE Public

    FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery

    Python 86 14

  2. bymgood/TAME-VS-2.0 bymgood/TAME-VS-2.0 Public

    Jupyter Notebook 1