Data Catalog

• Federal

  `thermoextrap`: Thermodynamic Extrapolation/Interpolation Library

  National Institute of Standards and Technology —

  This is a python package to perform thermodynamic extrapolation andinterpolation of observables calculated from molecular simulations. This allowsfor more efficient...

  • PDF
  • HTML
  • HTML
• Federal

  tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data.

  Department of Commerce —

  A python package to analyze lnPi data from Transition Matrix Monte Carlo(TMMC) simulation. The main output from TMMC simulations, lnPi, provides a means to calculate...

  • HTML
  • PDF
• Federal

  analphipy: A python package to analyze pair-potential metrics.

  Department of Commerce —

  analphipy is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation....

  • PDF
  • HTML
• Federal

  tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data.

  National Institute of Standards and Technology —

  A python package to analyze lnPi data from Transition Matrix Monte Carlo(TMMC) simulation. The main output from TMMC simulations, lnPi, provides a means to calculate...

  • HTML
  • PDF
• Federal

  analphipy: A python package to analyze pair-potential metrics.

  National Institute of Standards and Technology —

  analphipy is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation....

  • PDF
  • HTML
• Federal

  `thermoextrap`: Thermodynamic Extrapolation/Interpolation Library

  Department of Commerce —

  This is a python package to perform thermodynamic extrapolation andinterpolation of observables calculated from molecular simulations. This allowsfor more efficient...

  • PDF
  • HTML
  • HTML

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