Center for Molecular Modeling (CMM), Ghent University

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1. openmm-tutorial-msbs openmm-tutorial-msbs Public

   OpenMM tutorial for the MSBS course

   Jupyter Notebook 196 50

2. psiflow psiflow Public

   scalable molecular simulation

   Python 143 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