sierras
sierras is a tool for empirical Arrhenius equation fitting for thermally-induced physicochemical processes.
Requirements
You need Python 3.8+ to run sierras.
Installation
You can install the most recent stable release of sierras with pip
python -m pip install -U pip
python -m pip install -U sierras
Usage
A simple example of use:
from sierras import ArrheniusRegressor
# default constant is Boltzmann in eV/K
areg = ArrheniusRegressor()
# temperatures and target_process arrays-like as usually used in scikit-learn
areg.fit(Temperatures, target_process)
# print the activation energy ([eV] in the default case) and the extrapolated
# process at room temperatures values (in the same units as target_process is)
print(areg.activation_energy_, areg.extrapolated_process_)
# plot the fitting
fig, ax = plt.subplots()
areg.plot(ax=ax)
For a more detailed explanation you can read the tutorial and the API.
License
Contact info
You can contact me at ffernandev@gmail.com
1 maintainer
Metadata
1 maintainer
Release files for sierras 0.2.5
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| sierras-0.2.5.tar.gz | 6.7 kB | Without provenance | Details for sierras-0.2.5.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| sierras-0.2.5-py3-none-any.whl | Python 3 | none | any | Details for sierras-0.2.5-py3-none-any.whl |
Total release size: 12.6 kB
Release files / sierras-0.2.5.tar.gz
| Download URL | sierras-0.2.5.tar.gz |
|---|---|
| Size | 6.7 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Release files / sierras-0.2.5-py3-none-any.whl
| Download URL | sierras-0.2.5-py3-none-any.whl |
|---|---|
| Size | 5.9 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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