FEASST: Free Energy and Advanced Sampling Simulation Toolkit.

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Resource Abstract:
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.; abstract: 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.
Citation
Title FEASST: Free Energy and Advanced Sampling Simulation Toolkit.
creation  Date   2017-12-05T06:19:05.223542
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Digital Transfer Options
Linkage for online resource
name Dublin Core references URL
URL: https://github.com/usnistgov/feasst
protocol WWW:LINK-1.0-http--link
link function information
Description URL provided in Dublin Core references element.
Linkage for online resource
name Dublin Core references URL
URL: https://doi.org/10.18434/M3S095
protocol WWW:LINK-1.0-http--link
link function information
Description URL provided in Dublin Core references element.

Metadata data stamp:  2018-08-06T23:20:39Z
Resource Maintenance Information
maintenance or update frequency: 
notes: This metadata record was generated by an xslt transformation from a dc metadata record; Transform by Stephen M. Richard, based on a transform by Damian Ulbricht. Run on 2018-08-06T23:20:39Z
Metadata contact - pointOfContact
organisation Name  CINERGI Metadata catalog
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electronic Mail Address cinergi@sdsc.edu
Metadata language  eng
Metadata character set encoding:   utf8
Metadata standard for this record:  ISO 19139 Geographic Information - Metadata - Implementation Specification
standard version:  2007
Metadata record identifier:  urn:dciso:metadataabout:48d9cfbb-1845-4a8b-aa0b-7a38dd1bc0b8

Metadata record format is ISO19139 XML (MD_Metadata)