Standard reaction Gibbs energy estimation for biochemical reactions.
Project description
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 3.6+
- 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
Project details
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
Close
Hashes for component-contribution-0.4.6.tar.gz
Algorithm | Hash digest | |
---|---|---|
SHA256 | 632d0926cf31352080e7d6101455568bbc4a0c1f962fd0257661e97300496639 |
|
MD5 | 36412db00299b938fe41215bb8e11b50 |
|
BLAKE2b-256 | 9604959cbb93177b49f183cdacbe6c8fbb6a71d89bf4b6f81b42807449354756 |
Close
Hashes for component_contribution-0.4.6-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 8cf8e2b6691bebdb1cdfdcb7c038c22d258ecea86e67de7973512afcbc9e2a6b |
|
MD5 | d882476478cdb0192dadcffe94aa8fcb |
|
BLAKE2b-256 | 95d7b92ce92939597e0c5a3c171fb29db72ddb61db5206831240873b46f9313d |