#

chemical-diversity

Here is 1 public repository matching this topic...

theochem / Selector

Python library of algorithms for selecting diverse subsets of data for machine-learning.

variable-selection chemical-diversity compound-selection maximum-diversity-molecule maximum-dissimilarity-search compound-acquisition chemical-library-design

Updated Jan 6, 2025
Jupyter Notebook

Improve this page

Add a description, image, and links to the chemical-diversity 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 chemical-diversity topic, visit your repo's landing page and select "manage topics."