openmolecules.org Forum: Cheminformatics » Integration with KNIME or Python

Home » DataWarrior » Cheminformatics » Integration with KNIME or Python (Can we add customized cheminformatics toolkits to DataWarrior?)

Show: Today's Messages :: Polls :: Message Navigator

Integration with KNIME or Python [message #1435]

Thu, 04 November 2021 20:33

cfang
Messages: 1
Registered: November 2021

Junior Member

Hi all,

DataWarrior is a great chemistry frontend GUI with a lot of embedded cheminformatics toolkits. But I wonder if it is possible to develop customized tools and publish to the DataWarrior such as utilizing KNIME connection or Python/RDKit etc.

I read an old poster in 2016 that pointed out the integration of KNIME to DataWarrior was on the way. Is there any updates on that? Generally, at current stage, is it possible to do some customization with DataWarrior?

Thanks!
Cheng

Report message to a moderator