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1. mmvt_seekr mmvt_seekr Public

   MMVT SEEKR is a multiscale simulation approach for calculating ligand binding kinetics

   Jupyter Notebook 2 1

2. seekr seekr Public

   Simulation-Enabled Estimation of Kinetic Rates (SEEKR): a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular bindin…

   Python 1

3. locked_analysis locked_analysis Public

   scripts to analyze transitions between milestones on two overlapping sites

   Python

4. benchmarksets benchmarksets Public

   Forked from MobleyLab/benchmarksets

   Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards

   TeX

5. SEEKR_tutorial SEEKR_tutorial Public

   Tutorial for NBCR DSM 2018

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6. PVRW_NAMD PVRW_NAMD Public

   C