Wrapper script Version 1
Python script wrapping up (executing) all the steps of the workflow the user enters in it. Together with "names.py" this script requires input files to be located in a folder called "input" in the same directory.
SEEK ID: https://fairdomhub.org/data_files/3796?version=1
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wrapper.py
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Size: 14.4 KB
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Views: 243 Downloads: 19
Created: 16th Jul 2020 at 14:06
Last updated: 24th Jul 2020 at 15:53
Last used: 28th Jul 2021 at 12:16
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Version 1 Created 16th Jul 2020 at 14:06 by Gudrun Gygli
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Related items
https://orcid.org/0000-0001-9119-1778Well rounded biologist/biotechnologist/biochemist/enzymologist/bioinformatician/computational biologist.
Storage of thermophysical properties (e.g. density, viscosity, thermodynamic activity of water, conductivity) using Chemical Markup Language (CML).
Programme: This Project is not associated with a Programme
Public web page: Not specified
This is a collection of deep eutectic solvent (DES) experimental and simulation data that is stored in CML format and analysed using gradient boosting decision trees.
A meta-analysis of the impact of water content and temperature on the viscosities of four deep eutectic solvents (glyceline, reline, DEAG, DEACG), their components (choline chloride, urea, glycerol, ethylene glycol), methanol, and pure water was performed. We analyzed the viscosity data by an automated workflow, using Arrhenius and Vogel–Fulcher–Tammann-Hesse models.
Submitter: Gudrun Gygli
Biological problem addressed: Model Analysis Type
Investigation: Deep Eutectic Solvents
