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SVR Machine Learning Workshop
Tools | 08 Aug 2022 | Contributor(s):: Davis McGregor
Introductory tutorial on support vector regression (SVR) machine learning, cross validation, and hyperparameter tuning.
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MRS Computational Materials Science Tutorial
Tools | 04 May 2022 | Contributor(s):: Panayotis Thalis Manganaris, Saaketh Desai, Arun Kumar Mannodi Kanakkithodi
Hands-on guide to the development of statistical models useful for materials design using python, sklearn, tensorflow, and intel extensions.
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Pilling-Bedworth Ratio Calculator
Tools | 15 Apr 2022 | Contributor(s):: Zachary D McClure, Alejandro Strachan
Query unit cell structures from the Materials Project and calculate Pilling-Bedworth Ratio between metal and oxides
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Polymer Genetic Algorithm
Tools | 05 Nov 2021 | Contributor(s):: Joseph D Kern
Generalized genetic algorithm designed for materials discovery.
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Machine Learning in Physics
Tools | 04 Nov 2021 | Contributor(s):: Nicolas Onofrio
Lectures and tutorials to learn how to write machine learning programs with Python
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A Batch Reification/Fusion Optimization Framework for Bayesian-based Material Optimization
Tools | 27 Apr 2021 | Contributor(s):: Richard Couperthwaite, Raymundo Arroyave
This tool is a Bayesian optimization framework that allows for a combination of a multi-fidelity (Reification/Fusion) optimization approach with a Batch Bayesian Approach.
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Bayesian Calibration
Tools | 18 Feb 2014 | Contributor(s):: Martin Hunt, Benjamin P Haley, Jan Ebinger, Alejandro Strachan
Given a model, input data for some paramaters and output data, calibrate unknown input parameters
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Near-field radiation transport between two planes
Tools | 28 Aug 2012 | Contributor(s):: Majid alDosari, Greg Walker
Calculates the radiation exchange between two parallel half-spaces
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Stretching simulation of an alpha-helical protein domain
Tools | 10 Jan 2011 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
Uses steered molecular dynamics (SMD) to apply a tensile load to the ends of a molecule (such as an alpha-helical protein domain)
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Hyperlens Layer Designer
Tools | 03 Jun 2008 | Contributor(s):: Matt Swanson, Alexander V. Kildishev, Xingjie Ni
Design a hyperlens using concentric cylindrical layers of various materials