Icon

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

Download

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: 2024-04-27
Created with KNIME version: v4.1.1
Tags: Material Science

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!