# KCF-Convoy: efficient Python package to convert KCF chemical substructure fingerprints
KCF-Convoy is a new Python package to generate KCF formats and KCF-S fingerprints from Molfile, SDF, SMILES and InChI seamlessly. Obtained KCF-S were applied to a series of machine learning binary classification methods to distinguish herbicides from other pes- ticides, and also to find characteristic substructures in a specific genus.
Visit [GitHub Wiki](https://github.com/KCF-Convoy/kcfconvoy/wiki) for more details.
## Usage
Use conda
`bash $ git clone git@github.com:KCF-Convoy/kcfconvoy.git $ cd kcfconvoy $ conda install -c conda-forge rdkit $ python3 setup.py install `
Use docker and docker-compose
`bash $ git clone git@github.com:KCF-Convoy/kcfconvoy.git $ cd kcfconvoy $ docker-compose up -d --build $ docker-compose exec app bash root@e9ea26cc0217:/opt/kcfconvoy# python3 Python 3.8.0 | packaged by conda-forge | (default, Nov 22 2019, 19:11:38) [GCC 7.3.0] :: Anaconda, Inc. on linux Type "help", "copyright", "credits" or "license" for more information. >>> import kcfconboy >>> `
### Run tests
`bash $ cd tests $ python -m unittest *.py `
## Contact
Author: maskot@chemsys.t.u-tokyo.ac.jp
Maintainer: suecharo@g.ecc.u-tokyo.ac.jp
## License
MIT
2 maintainers
Metadata
2 maintainers
Release files for kcfconvoy 0.0.5
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| kcfconvoy-0.0.5-py3-none-any.whl | Python 3 | none | any | Details for kcfconvoy-0.0.5-py3-none-any.whl |
Release files / kcfconvoy-0.0.5-py3-none-any.whl
| Download URL | kcfconvoy-0.0.5-py3-none-any.whl |
|---|---|
| Size | 20.3 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
4d4d23cd5c87d80a16202f6ada7b11b843f971b5e1ac0d7f2f221c013c03d015
|
|
BLAKE2b-256 checksum How to use checksums |
a203ace04602ab489b576d71f7b19e325e8f3570f1503ea5e5885cb31bb33d36
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/3.1.1 pkginfo/1.5.0.1 requests/2.21.0 setuptools/41.6.0 requests-toolbelt/0.9.1 tqdm/4.40.0 CPython/3.7.5
|
Security for kcfconvoy 0.0.5
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.
