Skip to content

Instantly share code, notes, and snippets.

View wutobias's full-sized avatar

Tobias Hüfner wutobias

  • Frankfurt, Germany
View GitHub Profile
@wutobias
wutobias / DiverseQCA.ipynb
Last active September 30, 2020 23:35
Example for making a diverse subset selection from QC molecules with common substructures
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.