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
Web Resource Unknown Open resource
feasst Unknown A git repository containing the C++ and python source code for the FEASST software. This software can be downloaded from GitHub. Open resource

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