luigibonati / mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
Why this job: works in the areas we cover, but does not say which job it does
What it does
The library is built upon the PyTorch ML library as well as the Lightning high-level framework.
Get started
No single install command. Read the steps in the README (opens in new tab)
- Maintenance
- Active
- Last commit 58 days ago
- Stars
- 147
- On GitHub
- Licence
- MIT
- Allows business use
- Downloads for
- None listed
- No release files
- Latest version
- v1.3.1
- Released 9 months ago
- Built with
- Python
- 100% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 93% closed
- 9 still open
- Pull requests
- 167 merged
- 4 waiting
- Releases
- 15
- 2 in the last year
- Contributing guide (opens in new tab)
- No security policy
- Code of conduct (opens in new tab)
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More: languages, topics and project record
Languages
- Python 100%
- Shell <1%
Topics
- collective-variables
- data-driven
- enhanced-sampling
- machine-learning
- python
Project record
- JobOther AI tools
- StatusListed
- Commits1,470
- Forks36
- Watching6
- Stars in 28 days+2
- CreatedSep 21, 2021
- First seen by usNov 7, 2026
- CheckedNov 8, 2026