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GitHub topics: maximum-diversity-molecule

theochem/Selector

Python library of algorithms for selecting diverse subsets of data for machine-learning. Webserver is hosted at https://huggingface.co/spaces/QCDevs/Selector.

Language: Jupyter Notebook - Size: 24 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 22 - Forks: 22