openmolecules.org Forum: Functionality

Search
Help
Members
Register
Login
Home

Home » DataWarrior » Functionality » python usage

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

Re: python usage [message #2426 is a reply to message #2325]

Sat, 02 August 2025 12:15

Etnolekt
Messages: 1
Registered: August 2025

Junior Member

Hi, I wrote dwar2pd: a wrapper for openchemlib.js that allows you to load .dwar files directly into a Pandas DataFrame and decode idcodes to SMILES. Feel free to give it a try!

[Updated on: Sat, 02 August 2025 17:20]

Report message to a moderator

[Message index]

		python usage By: sukrit2024 on Sat, 05 October 2024 00:48
		Re: python usage By: thomas on Sat, 26 October 2024 21:44
		Re: python usage By: Etnolekt on Sat, 02 August 2025 12:15

Previous Topic:	Export SMARTS
Next Topic:	2D table View

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sun Oct 04 16:46:42 CEST 2026

Total time taken to generate the page: 0.00662 seconds