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1. icomse/3rd_workshop_advanced_sampling icomse/3rd_workshop_advanced_sampling Public

   Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling

   Jupyter Notebook 42 13

2. boltzmann_generators boltzmann_generators Public

   A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder

   Jupyter Notebook 24 4

3. enhanced_sampling_tutorials enhanced_sampling_tutorials Public

   A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS

   Jupyter Notebook 21 2

4. ensemble_md ensemble_md Public

   A python package for performing GROMACS simulation ensembles

   Python 17 4

5. REMD_analysis REMD_analysis Public

   A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations

   Python 13 9

6. AEV-PLIG-refined AEV-PLIG-refined Public

   A refined version of the AEV-PLIG scoring function

   Python 2 2