Data provided by 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 flat-histogram Monte Carlo and molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.
About this Dataset
Updated: 2026-08-20
Metadata Last Updated:
2017-11-02
Date Created:
N/A
Data Provided by:
Dataset Owner:
N/A
| Title | FEASST: Free Energy and Advanced Sampling Simulation Toolkit |
|---|---|
| Description | 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 molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods. |
| Modified | 2017-11-02 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:[email protected] |
| Keywords | Monte Carlo , molecular simulation , free energy , flat histogram , C++ , python |
{
"identifier": "5D00D811BC74B453E0531A570681BC861875",
"accessLevel": "public",
"contactPoint": {
"hasEmail": "mailto:[email protected]",
"fn": "Harold Hatch"
},
"programCode": [
"006:045"
],
"landingPage": "https:\/\/pages.nist.gov\/feasst",
"title": "FEASST: Free Energy and Advanced Sampling Simulation Toolkit",
"description": "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 molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.",
"language": [
"en"
],
"distribution": [
{
"accessURL": "https:\/\/github.com\/usnistgov\/feasst",
"format": "A GitHub repository",
"description": "A git repository containing the C++ and python source code for the FEASST software. This software can be downloaded from GitHub.",
"title": "feasst"
},
{
"accessURL": "https:\/\/doi.org\/10.18434\/M3S095"
}
],
"bureauCode": [
"006:55"
],
"modified": "2017-11-02",
"publisher": {
"@type": "org:Organization",
"name": "National Institute of Standards and Technology"
},
"theme": [
"Physics: Thermodynamics",
"Mathematics and Statistics: Numerical methods and software",
"Materials : Modeling and computational material science",
"Chemistry: Theoretical chemistry and modeling",
"Chemistry: Chemical thermodynamics and chemical properties",
"Manufacturing: Biomanufacturing",
"Mathematics and Statistics: Modeling and simulation research",
"Nanotechnology: Nanomaterials",
"Physics: Biological physics"
],
"keyword": [
"Monte Carlo",
"molecular simulation",
"free energy",
"flat histogram",
"C++",
"python"
]
}
