uchicago-voth

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1. MSCG-release MSCG-release Public

   Public Releases of the Voth Group's Multi-scale Coarse-graining (MS-CG) code that calculates CG interactions via force matching (FM)

   C++ 26 10

2. OpenMSCG OpenMSCG Public

   OpenMSCG: Software Tool for Bottom-Up Coarse-Graining (https://pubs.acs.org/doi/10.1021/acs.jpcb.3c04473)

   Python 10 2

3. cgmap cgmap Public

   Simple fine-grained to coarse-grained molecular dynamics mapping code

   Python 6 5

4. raptor raptor Public

   Software for Multi-scale Reactive Molecular Dynamics Simulations

   C++ 5 3

5. DynamicMatchingCG DynamicMatchingCG Public

   Code and models for "Adversarial Training for Dynamics Matching in Coarse-Grained Models"

   Python 3

6. masterclass-24-09-ttmetad masterclass-24-09-ttmetad Public

   public tutorial of ttmetad

   Jupyter Notebook 2