10 datasets found
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Federal
NIST Interatomic Potentials Repository
National Institute of Standards and Technology —
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and... -
Federal
NIST Interatomic Potentials Repository
Department of Commerce —
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and... -
Federal
NIST Standard Reference Simulation Website - SRD 173
Department of Commerce —
The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various... -
Federal
FEASST: Free Energy and Advanced Sampling Simulation Toolkit
National Institute of Standards and Technology —
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with... -
Federal
FEASST: Free Energy and Advanced Sampling Simulation Toolkit
Department of Commerce —
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with... -
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... -
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... -
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... -
Federal
NIST Standard Reference Simulation Website - SRD 173
National Institute of Standards and Technology —
The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various... -
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...
10 datasets found