A method for estimating the standard reaction Gibbs energy of biochemical reactions

These details have not been verified by PyPI

Project links

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 3.9+
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

These details have not been verified by PyPI

Project links

Release history Release notifications | RSS feed

This version

0.6.0

Jan 28, 2024

0.6.0b1 pre-release

Dec 31, 2023

0.5.2

Sep 14, 2023

0.5.1

Aug 1, 2023

0.5.0

Jul 31, 2023

0.5.0b1 pre-release

Jul 30, 2023

0.4.6

Jul 29, 2023

0.4.5b1 pre-release

Oct 6, 2021

0.4.4

Jul 2, 2021

0.4.4b2 pre-release

Jun 15, 2021

0.4.3

May 31, 2021

0.4.2

Mar 22, 2021

0.4.1

Feb 17, 2021

0.4.1b2 pre-release

Jan 26, 2021

0.4.1b1 pre-release

Jan 7, 2021

0.4.0

Nov 19, 2020

0.4.0b4 pre-release

Nov 6, 2020

0.4.0b3 pre-release

Nov 5, 2020

0.4.0b2 pre-release

Oct 28, 2020

0.4.0b1 pre-release

Sep 19, 2020

0.3.2

Aug 31, 2020

0.3.2b4 pre-release

Aug 9, 2020

0.3.2b3 pre-release

Aug 9, 2020

0.3.2b2 pre-release

Jul 8, 2020

0.3.2b1 pre-release

Jul 8, 2020

0.3.1

May 19, 2020

0.3.1b1 pre-release

May 11, 2020

0.3.0rc2 pre-release

Apr 29, 2020

0.3.0rc1 pre-release

Apr 22, 2020

0.3.0b9 pre-release

Apr 16, 2020

0.3.0b7 pre-release

Apr 10, 2020

0.3.0b6 pre-release

Apr 2, 2020

0.3.0b4 pre-release

Mar 29, 2020

0.3.0b3 pre-release

Mar 29, 2020

0.2.9

Mar 17, 2020

0.2.8

Mar 13, 2020

0.2.8b3 pre-release

Mar 13, 2020

0.2.8b2 pre-release

Mar 11, 2020

0.2.8b1 pre-release

Mar 10, 2020

0.2.7

Feb 21, 2020

0.2.7b2 pre-release

Jan 19, 2020

0.2.6

Jan 6, 2020

0.2.6b3 pre-release

Sep 16, 2019

0.2.6b2 pre-release

Sep 16, 2019

0.2.5

Jul 16, 2019

0.2.5b1 pre-release

Jul 10, 2019

0.2.4

Jul 9, 2019

0.2.3b4 pre-release

Jul 5, 2019

0.2.3b3 pre-release

Jul 1, 2019

0.2.3b2 pre-release

Jul 1, 2019

0.2.3b1 pre-release

Jul 1, 2019

0.2.1b2 pre-release

Jul 5, 2019

0.2.1b1 pre-release

Jun 10, 2019

0.2.0

Mar 1, 2019

0.1.6

Feb 15, 2019

0.1.5

Feb 8, 2019

0.1.3

Feb 8, 2019

0.1.2

Feb 5, 2019

0.1.1

Jan 31, 2019

0.1.0

Jan 29, 2019

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

component-contribution-0.6.0.tar.gz (41.4 kB view details)

Uploaded Jan 28, 2024 Source

Built Distribution

component_contribution-0.6.0-py2.py3-none-any.whl (29.6 kB view details)

Uploaded Jan 28, 2024 Python 2 Python 3

File details

Details for the file component-contribution-0.6.0.tar.gz.

File metadata

Download URL: component-contribution-0.6.0.tar.gz
Upload date: Jan 28, 2024
Size: 41.4 kB
Tags: Source
Uploaded using Trusted Publishing? No
Uploaded via: twine/4.0.2 CPython/3.12.1

File hashes

Hashes for component-contribution-0.6.0.tar.gz
Algorithm	Hash digest
SHA256	`9948283bcaa91ba5b4f25b21789c8916b8cc41086406b138df2d7edab319161b`
MD5	`1e4d516735a5b5d83755c58c09745b82`
BLAKE2b-256	`c4926b4003ae196d31a39a3afc60ad32d8cd5e1f796d81596f1f92aba6cced84`

See more details on using hashes here.

File details

Details for the file component_contribution-0.6.0-py2.py3-none-any.whl.

File metadata

Download URL: component_contribution-0.6.0-py2.py3-none-any.whl
Upload date: Jan 28, 2024
Size: 29.6 kB
Tags: Python 2, Python 3
Uploaded using Trusted Publishing? No
Uploaded via: twine/4.0.2 CPython/3.12.1

File hashes

Hashes for component_contribution-0.6.0-py2.py3-none-any.whl
Algorithm	Hash digest
SHA256	`801b6382dc864d2a39dcae2e5e02abc86d63a92fcfc5b1b7fd62c37ad290b094`
MD5	`f481d6b2a56fcd1b0d08538c868f288a`
BLAKE2b-256	`0ec7ddb85079735395222ac36854e16e701f21ed8e001948e583c0b7bbc87bbf`