openmolecules.org

 
Home » DataWarrior » Cheminformatics » Integration with KNIME or Python (Can we add customized cheminformatics toolkits to DataWarrior?)
icon5.gif  Integration with KNIME or Python [message #1435] Thu, 04 November 2021 20:33 Go to next message
cfang is currently offline  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

Re: Integration with KNIME or Python [message #1441 is a reply to message #1435] Sat, 13 November 2021 04:23 Go to previous message
yymomo is currently offline  yymomo
Messages: 1
Registered: November 2021
Junior Member
I'm also very curious about what can be done in conjunction with KNIME or PP. I wish the development of Data Warrior.

Report message to a moderator

Previous Topic: sp3 count
Next Topic: 3-D structures vs descriptors
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Wed Jul 02 03:17:13 CEST 2025

Total time taken to generate the page: 0.06152 seconds
openmolecules.org