codeentropy
CodeEntropy is a Python package for computing the configurational entropy of macromolecular systems using forces sampled from molecular dynamics (MD) simulations. It implements the multiscale cell correlation method to provide accurate and efficient entropy estimates, supporting a wide range of applications in molecular simulation and statistical mechanics.
Ecosystem
pypi.org
pypi.org
Latest Release
18 days ago
2.0.0
18 days ago
Versions
13
13
Downloads
251 last month
251 last month
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Readme
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Links
| Registry | pypi.org |
| Source | Repository |
| Homepage | Homepage |
| Docs | Documentation |
| JSON API | View JSON |
| CodeMeta | codemeta.json |
Package Details
| PURL |
pkg:pypi/codeentropy
spec |
| License | MIT |
| First Release | over 3 years ago |
| Last Synced | 18 days ago |
Repository
| Stars | 11 on GitHub |
| Forks | 1 on GitHub |