CodeEntropy
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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.
See CodeEntropy’s documentation for more information.
Acknowledgements
Project based on
- arghya90/CodeEntropy version 0.3
- jkalayan/PoseidonBeta
3 maintainers
Metadata
3 maintainers
Release files for CodeEntropy 2.5.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| codeentropy-2.5.0.tar.gz | 905.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| codeentropy-2.5.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 1.0 MB
Release files / codeentropy-2.5.0.tar.gz
| Download URL | codeentropy-2.5.0.tar.gz |
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| Size | 905.2 kB |
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Release files / codeentropy-2.5.0-py3-none-any.whl
| Download URL | codeentropy-2.5.0-py3-none-any.whl |
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| Size | 122.7 kB |
| Tags | Python 3 |
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