https://github.com/rdkit/lmnb

LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.
https://github.com/rdkit/lmnb

Last synced: about 2 months ago
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LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.

• Host: GitHub
• URL: https://github.com/rdkit/lmnb
• Owner: rdkit
• License: bsd-3-clause
• Created: 2022-08-11T08:36:05.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2024-11-03T12:47:47.000Z (about 2 months ago)
• Last Synced: 2024-11-03T13:18:34.317Z (about 2 months ago)
• Language: Python
• Homepage:
• Size: 79.1 KB
• Stars: 11
• Watchers: 5
• Forks: 1
• Open Issues: 2
• Metadata Files:
  • Readme: README.md
  • License: license.txt

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README

        
# LaplacianNB



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| CI/CD | [![tests](https://github.com/rdkit/lmnb/actions/workflows/tests.yml/badge.svg?branch=main)](https://github.com/rdkit/lmnb/actions/workflows/tests.yml) [![Build - lmnb](https://github.com/bbaranow/lmnb/actions/workflows/build-lmnb.yml/badge.svg)](https://github.com/bbaranow/lmnb/actions/workflows/build-lmnb.yml) |

| Package | [![PyPI - Version](https://img.shields.io/pypi/v/laplaciannb.svg?logo=pypi&label=PyPI&logoColor=gold)](https://pypi.org/project/laplaciannbs/) [![PyPI - Downloads](https://img.shields.io/pypi/dm/laplaciannb.svg?color=blue&label=Downloads&logo=pypi&logoColor=gold)](https://pypi.org/project/laplaciannb/) [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/laplaciannb.svg?logo=python&label=Python&logoColor=gold)](https://pypi.org/project/laplaciannb/) |

| Meta | [![Hatch project](https://img.shields.io/badge/%F0%9F%A5%9A-Hatch-4051b5.svg)](https://github.com/pypa/hatch) [![code style - black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black) [![types - Mypy](https://img.shields.io/badge/types-Mypy-blue.svg)](https://github.com/python/mypy) [![imports - isort](https://img.shields.io/badge/imports-isort-ef8336.svg)](https://github.com/pycqa/isort) [![License](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](https://opensource.org/licenses/BSD-3-Clause)



**LaplacianNB** is a Python module developed at **Novartis AG** for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.

This classifier is suitable for binary/boolean data as it uses for prediction only indices of the positive bits. The algorithm was first implemented in Pipeline Pilot and KNIME.

Literature:

```

Nidhi; Glick, M.; Davies, J. W.; Jenkins, J. L. Prediction of biological targets

for compounds using multiple-category Bayesian models trained on chemogenomics

databases. J. Chem. Inf. Model. 2006, 46, 1124– 1133,

https://doi.org/10.1021/ci060003g

Lam PY, Kutchukian P, Anand R, et al. Cyp1 inhibition prevents doxorubicin-induced cardiomyopathy

in a zebrafish heart-failure model. Chem Bio Chem. 2020:cbic.201900741.

https://doi.org/10.1002/cbic.201900741

```

=======

Authors

--------

Huge thanks to **Florian Nigsch** ([email protected]) for the first implementation of the algorithm in python and **Peter Kutchukian** ([email protected]) for scientific guidance and validation.

Author and maintainer: **Bartosz Baranowski** ([email protected])

Installation

------------

Dependencies:

```

- Python       (>= 3.8)

- pandas       (>=1.4.2)

- numpy        (>=1.22.4)

- scikit-learn (>=1.1.1)

- scipy        (>=1.8.1)

```

=======

User installation:

```pip install laplaciannb```

Changelog

---------

`v0.5.0` - Initial release