physical_validation: A Python package to assess the physical validity of molecular simulation results
physical_validation is a package testing results obtained by molecular simulations for their physical validity.
Please cite
Merz PT, Shirts MR (2018) Testing for physical validity in molecular simulations. PLoS ONE 13(9): e0202764. https://doi.org/10.1371/journal.pone.0202764
Merz et al., (2022). physical_validation: A Python package to assess the physical validity of molecular simulation results. Journal of Open Source Software, 7(69), 3981, https://doi.org/10.21105/joss.03981
physical_validation incorporates the functionality of checkensemble.
This software is developed in the Shirts group at University of Colorado in Boulder.
Documentation
Please check https://physical-validation.readthedocs.io for the full reference.
1 maintainer
Metadata
1 maintainer
Release files for physical-validation 1.0.5
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| physical_validation-1.0.5.tar.gz | 3.3 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| physical_validation-1.0.5-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 6.7 MB
Release files / physical_validation-1.0.5.tar.gz
| Download URL | physical_validation-1.0.5.tar.gz |
|---|---|
| Size | 3.3 MB |
| Tags | Source |
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Release files / physical_validation-1.0.5-py3-none-any.whl
| Download URL | physical_validation-1.0.5-py3-none-any.whl |
|---|---|
| Size | 3.4 MB |
| Tags | Python 3 |
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