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MoSDeF Cassandra: A complete Python interface for the Cassandra Monte Carlo software

Ryan S DeFever1, Ray A Matsumoto2, Alexander W Dowling1

  • 1Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana, USA.

Journal of Computational Chemistry
|May 1, 2021
PubMed

Keywords:
Monte Carlomolecular modelingopen source softwarereproducible researchthermodynamics

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