This release has been yanked by its maintainers, and will be ignored by installers, except when explicitly specified.
Reason given by maintainers: Placeholder release; first functional version will be v0.1
wetmetal
Trajectory analytics for adsorption at metal-electrolyte interfaces. Built on MDAnalysis.
The first release computes adsorption energies, element-resolved RDFs at the metal surface, solvent and counter-ion displacement, Langmuir coverage isotherms, and adsorption kinetics from reactive MD trajectories of organic corrosion inhibitors on Fe(110). The same machinery extends to passivation, electrocatalysis, and electrode-electrolyte interphases; later releases will broaden scope as those projects come online.
Pre-alpha. Not on PyPI yet. Targeting JOSS submission Q4 2026.
Install
git clone https://github.com/turneradam/wetmetal.git
cd wetmetal
pip install -e ".[dev]"
pytest
License
MIT.
1 maintainer
Metadata
1 maintainer
Release files for wetmetal 0.0.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| wetmetal-0.0.1.tar.gz | 2.8 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| wetmetal-0.0.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 5.6 kB
Release files / wetmetal-0.0.1.tar.gz
| Download URL | wetmetal-0.0.1.tar.gz |
|---|---|
| Size | 2.8 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/6.2.0 CPython/3.12.10
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Release files / wetmetal-0.0.1-py3-none-any.whl
| Download URL | wetmetal-0.0.1-py3-none-any.whl |
|---|---|
| Size | 2.8 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.12.10
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