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.
Resources
| Name |
Format |
Description |
Link |
|
0 |
A git repository containing the C++ and python source code for the FEASST software. This software can be downloaded from GitHub. |
https://github.com/usnistgov/feasst |
|
0 |
|
https://doi.org/10.18434/M3S095 |
Tags
- free-energy
- monte-carlo
- c_
- molecular-simulation
- python
- flat-histogram