This is a tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
To install, download this project and ensure that Python can find the standardise/ directory. Note that RDKit must also be installed and accessible to Python.
Or, install via pip: ` pip install standardiser `
Please see the IPython Notebooks in docs/ or the HTML versions in docs/html/ for more information. The HTML version is also available for browsing at https://wwwdev.ebi.ac.uk/chembl/extra/francis/standardiser/.
This work was funded by the IMI eTOX project.
This code is released under the Apache 2.0 license. Copyright [2014] is retained by the EMBL-EBI.
1 maintainer
Metadata
1 maintainer
Release files for standardizer 0.1.7
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| standardizer-0.1.7.tar.gz | 2.5 MB | Without provenance | Details for standardizer-0.1.7.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| standardizer-0.1.7-py3-none-any.whl | Python 3 | none | any | Details for standardizer-0.1.7-py3-none-any.whl |
Total release size: 5.1 MB
Release files / standardizer-0.1.7.tar.gz
| Download URL | standardizer-0.1.7.tar.gz |
|---|---|
| Size | 2.5 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
349ec62bac43a15902fba67e2714b25526a237213b8a0a39db66d963ae886ec2
|
|
BLAKE2b-256 checksum How to use checksums |
16ffec9cdd40c37c5977b79921c16c8ee23b1d83d9e2d1221b9922edcb8f1d84
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/1.13.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.0.1 requests-toolbelt/0.9.1 tqdm/4.32.1 CPython/3.6.7
|
Release files / standardizer-0.1.7-py3-none-any.whl
| Download URL | standardizer-0.1.7-py3-none-any.whl |
|---|---|
| Size | 2.5 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
6fad27831fcba307c2d2e761bc4f4de1dd4c1b75bca111741f66d962b9ddb750
|
|
BLAKE2b-256 checksum How to use checksums |
6ef40abf9c32d5a7b0c7e370b5a496537baed7e8d32791d245629b1d636eb8cb
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/1.13.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.0.1 requests-toolbelt/0.9.1 tqdm/4.32.1 CPython/3.6.7
|
Security for standardizer 0.1.7
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
No provenance found
None of the files in this release were uploaded with provenance metadata.
A note on package security
PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.
To learn more about protecting yourself from malicious actors, visit our package security documentation.
