Here are
6 public repositories
matching this topic...
Repository for files related to DEREP-NP dereplication database
Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.
Updated
Nov 12, 2024
Python
retrieve low-energy conformers generated by DataWarrior
Updated
Jun 7, 2023
Python
an alternative pdf export of an array of computed properties by DataWarrior
Updated
May 12, 2020
Python
sort DataWarrior clusters and relabel their molecules accordingly
Updated
May 27, 2023
Python
A concept study to retrieve at least some of the .cif-relevant data from structurefinder's .sqlite database file.
Updated
May 11, 2020
Python
Improve this page
Add a description, image, and links to the
datawarrior
topic page so that developers can more easily learn about it.
Curate this topic
Add this topic to your repo
To associate your repository with the
datawarrior
topic, visit your repo's landing page and select "manage topics."
Learn more
You can’t perform that action at this time.