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1. Santiso-Group/despasito Santiso-Group/despasito Public

   DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output

   Python 14 9

2. alchemlyb alchemlyb Public

   Forked from alchemistry/alchemlyb

   the simple alchemistry library

   Python

3. mapsci mapsci Public

   MAPSCI: Multipole Approach of Predicting and Scaling Cross Interactions

   Python

4. mbuild mbuild Public

   Forked from mosdef-hub/mbuild

   A hierarchical, component based molecule builder

   Python

5. mdanalysis mdanalysis Public

   Forked from MDAnalysis/mdanalysis

   MDAnalysis is a Python library to analyze molecular dynamics simulations.

   Python 1

6. RMG-Py RMG-Py Public

   Forked from ReactionMechanismGenerator/RMG-Py

   Python version of the amazing Reaction Mechanism Generator (RMG).

   Python