Center for Molecular Modeling (CMM), Ghent University

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1. openmm-tutorial-msbsopenmm-tutorial-msbsPublic

   OpenMM tutorial for the MSBS course

   Jupyter Notebook 195 50

2. psiflowpsiflowPublic

   scalable molecular simulation

   Python 143 16

3. QuickFFQuickFFPublic

   A Python code to quickly derive ab initio parameterized force fields.

   Python 43 15

4. yaffyaffPublic

   Yaff is yet another force-field code

   Python 39 18

5. staciestaciePublic

   Stable AutoCorrelation Integral Estimator

   Python 17 6

6. ThermoLIBThermoLIBPublic

   ThermoLIB is a library for the construction, manipulation and post-processing of free energy surfaces from output of molecular simulations

   Jupyter Notebook 6 2