alchemistry

alchemistry/alchemlyb

the simple alchemistry library

3 good first / help-wanted issues · Python · last activity Oct 5, 2026

248 stars 59 forks 248 watchers Python BSD 3-Clause "New" or "Revised" License

free-energy library molecular-dynamics python science

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3 Open Issues Need Help Last updated: Oct 5, 2026

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OpenMM parsers 24 days ago

help wanted parsers

alchemistry/alchemlyb

248

the simple alchemistry library

Python

#free-energy#library#molecular-dynamics#python#science

fix mypy type check 5 months ago

help wanted CI

alchemistry/alchemlyb

248

the simple alchemistry library

Python

#free-energy#library#molecular-dynamics#python#science

fix formatting 5 months ago

help wanted CI

alchemistry/alchemlyb

248

the simple alchemistry library

Python

#free-energy#library#molecular-dynamics#python#science