equilibrator-cache
A database application for caching data used by eQuilibrator and related projects. Stored data includes compound names, structures, protonation state information, reaction and enzyme info, and cross-references to other databases. All compounds stored in equilibrator-cache are cross-referenced using InChIKey.
Supported Chemical Databases:
Which database you get
Installing pulls in equilibrator-cache-data, about 24 MB, which carries every compound in the KEGG and BiGG namespaces with its thermodynamic data. That covers most work and needs no download at all:
from equilibrator_cache import create_compound_cache_from_zenodo
ccache = create_compound_cache_from_zenodo()
An identifier outside that set pulls the complete ~1.3 GB database from Zenodo, once, and everything afterwards is served from it. An identifier that exists nowhere raises straight away instead, so a typo never costs a download. Name search works on the bundled data too, escalating only when it cannot find an exact match and therefore cannot rule out a better one.
Pass tier="full" to fetch the complete database up front, or tier="bundled"
to start from the bundled data even on a machine that already holds the full
one, which the default would otherwise prefer.
2 maintainers
Release files for equilibrator-cache 0.8.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| equilibrator_cache-0.8.1.tar.gz | 30.5 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| equilibrator_cache-0.8.1-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 77.3 kB
Release files / equilibrator_cache-0.8.1.tar.gz
| Download URL | equilibrator_cache-0.8.1.tar.gz |
|---|---|
| Size | 30.5 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-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 / equilibrator_cache-0.8.1-py2.py3-none-any.whl
| Download URL | equilibrator_cache-0.8.1-py2.py3-none-any.whl |
|---|---|
| Size | 46.9 kB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-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
|
