Center for Molecular Modeling (CMM), Ghent University

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1. famd-course famd-course Public

   OpenMM tutorial for the course "Foundations and Applications of Molecular Dynamics"

   Jupyter Notebook 199 50

2. psiflow psiflow Public

   scalable molecular simulation

   Python 144 16

3. QuickFF QuickFF Public

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

   Python 43 15

4. yaff yaff Public

   Yaff is yet another force-field code

   Python 39 18

5. stacie stacie Public

   STable AutoCorrelation Integral Estimator for time-correlated data

   Python 20 6

6. ThermoLIB ThermoLIB Public

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

   Jupyter Notebook 8 2