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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 simulation techniques. The data...
Search relevance: 1.00 | Views last month: 3 | Catalog Last Checked: September 10, 2026 at 05:50 PM -
This is a python package to perform thermodynamic extrapolation and interpolation of observables calculated from molecular simulations. This allows for more efficient use of simulation data for...
Search relevance: 1.00 | Views last month: 2 | Catalog Last Checked: September 10, 2026 at 05:52 PM -
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and...
Search relevance: 1.00 | Views last month: 2 | Catalog Last Checked: September 10, 2026 at 05:51 PM -
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 a host of...
Search relevance: 1.00 | Views last month: 2 | Catalog Last Checked: September 10, 2026 at 05:52 PM -
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and...
Search relevance: 1.00 | Views last month: 1 | Catalog Last Checked: September 10, 2026 at 05:50 PM -
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and...
Search relevance: 1.00 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:51 PM -
This is a python package to perform thermodynamic extrapolation and interpolation of observables calculated from molecular simulations. This allows for more efficient use of simulation data for...
Search relevance: 1.00 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:53 PM -
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 a host of...
Search relevance: 1.00 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:53 PM -
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 simulation techniques. The data...
Search relevance: 1.00 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:51 PM -
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and...
Search relevance: 1.00 | Views last month: 0 | Catalog Last Checked: October 02, 2026 at 07:51 PM
