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Showing 4 open source projects for "smart"

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1

KherveFitting

Fit X-ray Photoelectron Spectroscopy (XPS), XAS and Raman data

...KherveFitting can open Excel files (.xlsx) or import/convert .vms, .avg, .kal, .spe (Thermo, Kratos, Specs, Scienta, Omicron, Phi) files into Excel format. 5 background types available: Tougaard, Shirley, Smart, Adaptive Smart. Various peak fitting models: Product and Sum of Gaussian and Lorentzian (GL & SGL), Voigt, Asymmetric Lorentzian (LA), Doniac-Sunjic (G*DS) and many more . Fit single peaks or doublets. Doublet splitting and RSF values are stored in a library file. Several intensity calibration available:TPP-2M, Scoffield, Wagner. ...

7 Reviews

Downloads: 216 This Week

Last Update: 2025-12-12
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2

GNNPCSAFT Web App

Smart Thermodynamic Modeling with Graph Neural Networks

The GNNPCSAFT Web App is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. More info on github repository.

Downloads: 89 This Week

Last Update: 5 days ago
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3

GNNPCSAFT

Smart Thermodynamic Modeling with Graph Neural Networks

The GNNPCSAFT app is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. To install the GNNPCSAFT app, download the...

Downloads: 5 This Week

Last Update: 4 days ago
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4

peptide array generator

small and smart peptide array generator, considering time complexity.

small and smart peptide array generator, considering time complexity. commercial software is quite costful (500+ euros). this projects aims on creating an open source, free alternative to those software.

Downloads: 0 This Week

Last Update: 2014-03-31
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