theochem/Selector

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

Stars: 42
Forks: 27
Open beginner issues: 0
Indexed issues: 11

Dominant language: Jupyter Notebook
License: GPL-3.0
Last GitHub push: Jun 29, 2026
Latest indexed: Sep 19, 2026
Contributing guide: Contributing guide
Code of conduct: Code of conduct
Beginner labels: help wanted
PR merge metrics: No merged PRs in 30d

Beginner friendly Everything

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11 open issues indexed

Improve OptiSim selection method, documentation, and examples Open

theochem/Selector#292 · 2 comments · 2 assignees · Opened Mar 29, 2026
GSOC 2026: Improve efficiency of `OptiSim` selection method Open

GSoC

Difficulty 5/5 Over a week Newbie friendliness 35/100

theochem/Selector#285 · 21 comments · Opened Feb 2, 2026
Improved Diversity Measures Open

theochem/Selector#256 · 1 assignee · Opened Sep 1, 2024
Cleaning up the new similarity based methods Open

low priority

Difficulty 4/5 3-5 days Newbie friendliness 25/100

theochem/Selector#218 · Opened Jun 25, 2024
some point view for DirectedSphereExclusion selested number relate to #152 Open

manuscript

theochem/Selector#159 · 8 comments · 2 assignees · Opened Aug 18, 2023
[methods.partition GridPartitioning] Open

manuscript

theochem/Selector#134 · 4 comments · 1 assignee · Opened Jun 12, 2023
[methods.partition DirectedSphereExclusion] Open

manuscript

theochem/Selector#133 · 1 comment · 3 assignees · Opened Jun 12, 2023
[Similarity module] Add more similarity measurements Open

help wanted manuscript

theochem/Selector#124 · 8 comments · 2 assignees · Opened May 29, 2023
[Selector module] Implementing D-optimal designs Open

feature help wanted low priority

theochem/Selector#71 · 3 comments · 1 assignee · Opened May 13, 2022
[Selector module] Implementing maximin algorithm with grid Open

feature help wanted low priority

Difficulty 5/5 Over a week Newbie friendliness 25/100

theochem/Selector#69 · Opened May 13, 2022
Add a command line tool for people to perform subset selection with one line of `bash` code Open

enhancement help wanted low priority

theochem/Selector#17 · 2 comments · 1 reaction · 1 assignee · Opened Jan 31, 2022

theochem/Selector

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