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darianyang/README.md

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  1. wedap wedap Public

    Weighted Ensemble Data Analysis and Plotting

    Python 8 8

  2. mdrelax mdrelax Public

    Nuclear spin relaxation calculations from MD simulation data

    Python

  3. ndpredict ndpredict Public

    NDPredict: ASN (N) Deamidation Predictor

    Python 1

  4. fluorelax fluorelax Public

    Calculate relaxation rates of fluorinated biomolecules

    Python 1

  5. westpa westpa Public

    Forked from westpa/westpa

    WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis

    Python 1

  6. ff15ipq-lig ff15ipq-lig Public

    Scripts for ff15ipq ligand parameter derivation

    Shell 2