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Top MOLE GitHub Repositories & Tools (2026)

Discover the most starred and trending open source tools tagged with #mole.

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5 matching projects · updated Sep 29, 2026 How we rank ↗

#1 TRENDING caezium/burrow Swift NEW 2026

🐹 Cleanup, app management, maintenance, disk analysis, and live status in one free, open-source, native Mac app + extensive support for AI agents.

◇ cleaner ◇ disk-usage ◇ macos ◇ mcp

174 ↑ +1 today

#2 TRENDING charnley/rmsd Python 2013

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

◇ alignment ◇ assignment ◇ atoms ◇ kabsch

121 ↑ +1 today

#3 TRENDING lab-cosmo/upet Python NEW 2025

Universal machine-learning models for advanced atomistic simulations

◇ machine-learned-interatomic-potentials ◇ machine-learning ◇ molecular-dynamics ◇ universal-potential

24 ↑ +1 today

#4 TRENDING lab-cosmo/chemiscope TypeScript 2019

An interactive structure/property explorer for materials and molecules

◇ hacktoberfest ◇ materials-science ◇ molecule ◇ visualization

44 ↑ +1 today

#5 TRENDING David-OConnor/molchanica Rust NEW 2025

Protein and molecule viewer, editor, simulator

◇ bioinformatics ◇ biology ◇ chemistry ◇ molecular-dynamics

4 ↑ +1 today

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