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1. mosdef-hub/mbuild mosdef-hub/mbuild Public

   A hierarchical, component based molecule builder

   Python 231 83

2. mosdef-hub/foyer mosdef-hub/foyer Public

   A package for atom-typing as well as applying and disseminating forcefields

   Python 149 80

3. mosdef-hub/mosdef_tutorials mosdef-hub/mosdef_tutorials Public

   A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit

   Jupyter Notebook 28 19

4. ucas-workshop ucas-workshop Public

   Material for the workshop portion of the "Theoretical and Computational Chemistry: Modeling Methods in Chemical Engineering" course at the University of Chinese Academy of Sciences

   Jupyter Notebook 10 3

5. chbe4830 chbe4830 Public

   Jupyter Notebook 1

6. single_asperity single_asperity Public

   Python