Pinned

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 35 10

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 14 3

3. ensemble_md ensemble_md Public

   A python package for performing GROMACS simulation ensembles

   Python 11 4

4. REMD_analysis REMD_analysis Public

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

   Python 9 8

5. advanced_sampling_tutorials advanced_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 8 2

6. alchemical_metadynamics alchemical_metadynamics Public

   A repository for maintaining the simulation files and analysis codes for the JCTC paper of alchemical metadynamics

   Jupyter Notebook 3 2