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

   OpenMM tutorial for the MSBS course

   Jupyter Notebook 183 50

2. psiflow psiflow Public

   scalable molecular simulation

   Python 138 16

3. QuickFF QuickFF Public

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

   Python 44 15

4. yaff yaff Public

   Yaff is yet another force-field code

   Python 37 18

5. tamkin tamkin Public

   TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

   Python 23 15

6. stacie stacie Public

   Stable AutoCorrelation Integral Estimator

   Python 16 5