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1. wedap wedap Public

   Weighted Ensemble Data Analysis and Plotting

   Python 8 7

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