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Periodic descriptors

Generates descriptors that can be used in a machine learning model to predict bulk properties such as ionic conductivity, band gap, bulk modulus, formation energy etc.

Some descriptorsCation list: Zr,Cr,Pt,Y,Si,CoPeriodicityCrystal lattice visual inspectionDescriptorsFirstPeriodic structuresPeriodicdescriptors Run Maestro Command Run Maestro Table Viewer Row Filter Molecule Reader(to MAE) Some descriptorsCation list: Zr,Cr,Pt,Y,Si,CoPeriodicityCrystal lattice visual inspectionDescriptorsFirstPeriodic structuresPeriodicdescriptors Run Maestro Command Run Maestro Table Viewer Row Filter Molecule Reader(to MAE)

Nodes

Extensions

Links

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: jcmozzic
Created at: 2020-04-15
On NodePit since: 2020-08-12
Last update: 2024-11-21
Created with KNIME version: v4.1.1
Tags: Material Science

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