molmod / psiflow
scalable molecular simulation
Why this job: works in the areas we cover, but does not say which job it does
What it does
Psiflow is a scalable molecular simulation engine for chemistry and materials science applications. It supports:
Get started
curl -L molmod.github.io/psiflow/install.sh | bash - Maintenance
- Active
- Last commit 3 days ago
- Stars
- 144
- On GitHub
- Licence
- MIT
- Allows business use
- Downloads for
- None listed
- No release files
- Latest tag
- v4.0.0-final
- Released 13 months ago
- Built with
- Python
- 98% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 80% closed
- 13 still open
- Pull requests
- 26 merged
- 3 waiting
- Releases
- 11
- 0 in the last year
- No contributing guide
- No security policy
- No code of conduct
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More: languages, topics and project record
Languages
- Python 98%
- Shell 1%
- Dockerfile 1%
Topics
- coupled-cluster
- cp2k
- dft
- enhanced-sampling
- free-energy-calculations
- gpaw
- machine-learning
- molecular-dynamics
- orca-quantum-chemistry
- plumed2
- pytorch
- quantum-chemistry
Project record
- JobOther AI tools
- StatusListed
- Commits1,055
- Forks16
- Watching4
- Stars in 28 days0
- CreatedNov 18, 2022
- First seen by usNov 7, 2026
- CheckedNov 10, 2026