Component Contribution
A method for estimating the standard reaction Gibbs energy of biochemical reactions.
Cite us
For more information on the method behind component-contribution, please view our open access paper:
Noor E, Haraldsdóttir HS, Milo R, Fleming RMT (2013) Consistent Estimation of Gibbs Energy Using Component Contributions, PLoS Comput Biol 9:e1003098, DOI: 10.1371/journal.pcbi.1003098
Please, cite this paper if you publish work that uses component-contribution.
Installation
pip install component-contribution
Dependencies
- Python 3.11+
- PyPI dependencies for prediction:
- equilibrator-cache
- numpy
- scipy
- pandas
- pint
- path
- periodictable
- uncertainties
- PyPI dependencies for training a new model:
- openbabel
- equilibrator-assets
Data sources
2 maintainers
Release files for component-contribution 0.8.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| component_contribution-0.8.0.tar.gz | 24.1 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| component_contribution-0.8.0-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 48.3 MB
Release files / component_contribution-0.8.0.tar.gz
| Download URL | component_contribution-0.8.0.tar.gz |
|---|---|
| Size | 24.1 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/7.0.0 CPython/3.14.7
|
Release files / component_contribution-0.8.0-py2.py3-none-any.whl
| Download URL | component_contribution-0.8.0-py2.py3-none-any.whl |
|---|---|
| Size | 24.2 MB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/7.0.0 CPython/3.14.7
|
