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Projects in Awesome Lists tagged with datawarrior
A curated list of projects in awesome lists tagged with datawarrior .
https://github.com/nbehrnd/datawarrior_saturate_murcko_scaffolds
Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.
datawarrior murcko openbabel python scaffold similarity substructure
Last synced: 14 Nov 2024
https://github.com/nbehrnd/structurfinder_cif_export
A concept study to retrieve at least some of the .cif-relevant data from structurefinder's .sqlite database file.
cif datawarrior python structurefinder
Last synced: 14 Nov 2024
https://github.com/nbehrnd/datawarrior_clustersort
sort DataWarrior clusters and relabel their molecules accordingly
Last synced: 14 Nov 2024
https://github.com/nbehrnd/datawarrior_conformer_filter
retrieve low-energy conformers generated by DataWarrior
Last synced: 14 Nov 2024
https://github.com/nbehrnd/datawarrior_pdf_export
an alternative pdf export of an array of computed properties by DataWarrior
Last synced: 14 Nov 2024