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1. test test Public

   This is a description

2. PSP PSP Public

   Forked from Ramprasad-Group/PSP

   PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.

   Jupyter Notebook

3. pysimm pysimm Public

   Forked from polysimtools/pysimm

   python simulation interface for molecular modeling

   Python

4. ligpargen ligpargen Public

   Forked from Isra3l/ligpargen

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5. mosdef_tutorials mosdef_tutorials Public

   Forked from mosdef-hub/mosdef_tutorials

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

   Jupyter Notebook

6. aqme aqme Public

   Forked from jvalegre/aqme

   Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer gene…

   Python