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.
Project description
CodeEntropy
| Category | Badges |
|---|---|
| Build |   |
| Regression |  |
| Documentation |   |
| Citation |  |
| PyPI |      |
| Anaconda |      |
| Quality |  |
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
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file codeentropy-2.3.0.tar.gz.
File metadata
- Download URL: codeentropy-2.3.0.tar.gz
- Upload date:
- Size: 896.4 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: python-requests/2.34.2
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
90264db56cc0ca5f5624403123e164352bbe1771918bfb5835c98a541cbc1acb
|
|
| MD5 |
52007c759ef2b315e64429a56f33d7f0
|
|
| BLAKE2b-256 |
7ce067325fff027ffac118d3415be41108aa30d4929e021ad504f788a5ff9ffc
|
File details
Details for the file codeentropy-2.3.0-py3-none-any.whl.
File metadata
- Download URL: codeentropy-2.3.0-py3-none-any.whl
- Upload date:
- Size: 118.4 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: python-requests/2.34.2
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
70b8106339e81b3b392634090ef7e9d26bce57abe43ddab90fb6f7e1d3a205e9
|
|
| MD5 |
8117f050190b435a70cf07748db2d6a4
|
|
| BLAKE2b-256 |
cdd945a3d423ac912042bc58b62ba1b15393714a8c1068e74cbedbd99571aae9
|
