Metadata-Version: 2.1
Name: Fragmenstein
Version: 0.8.4
Summary: Scaffold hopping between bound compounds by stitching them together like a reanimated corpse
Home-page: https://github.com/matteoferla/Fragmenstein
Author: Matteo Ferla
Author-email: matteo.ferla@gmail.com
License: MIT
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: pandas
Requires-Dist: numpy
Requires-Dist: requests
Requires-Dist: ipython
Requires-Dist: scipy
Requires-Dist: pebble
Requires-Dist: rdkit-to-params
Requires-Dist: molecular-rectifier
Requires-Dist: smallworld-api
Requires-Dist: nglview
Requires-Dist: sqlitedict
Requires-Dist: rdkit-pypi
Provides-Extra: jupyter
Requires-Dist: jupyter ; extra == 'jupyter'


Scaffold hopping between bound compounds by stitching them together like a reanimated corpse.
<img src="https://github.com/matteoferla/Fragmenstein/blob/master/images/fragmenstein.jpg?raw=true" width="300px">

Documentation in [GitHub](https://github.com/matteoferla/Fragmenstein).

[![colab demo](https://img.shields.io/badge/Run--demo--in--colab-colab_fragmenstein.ipynb-f9ab00?logo=googlecolab)](https://colab.research.google.com/github/matteoferla/Fragmenstein/blob/master/colab_fragmenstein.ipynb)

![Ox](https://upload.wikimedia.org/wikipedia/en/thumb/2/2f/University_of_Oxford.svg/132px-University_of_Oxford.svg.png)


