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1. KhelashviliLab/Automated-CV-Design KhelashviliLab/Automated-CV-Design Public

   Automated CV Discovery Pipeline from MD Simulations

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2. OpenMM-Slurm-Ensemble OpenMM-Slurm-Ensemble Public

   Forked from weinsteinlab/OpenMM-Slurm-Ensemble

   This repository contains the scripts/workflow components needed to launch arbitrarily large ensembles of molecular dynamics simulations with openMM (with GPUs), submitting jobs to Slurm.

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3. weinsteinlab/DNN weinsteinlab/DNN Public

   Jupyter Notebook 1

4. tiCA_MSM tiCA_MSM Public

   Jupyter Notebook

5. maggierosa.github.io maggierosa.github.io Public

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