Fragmenstein

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0.9.3 Fragmenstein-0.9.3-py3-none-any.whl

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Project: Fragmenstein
Version: 0.9.3
Filename: Fragmenstein-0.9.3-py3-none-any.whl
Download: [link]
Size: 749120
MD5: 8a14675833cc5fc87d73d4353117fe46
SHA256: a99d1044edc38bafd300c10f61804821c1278bb5c13ec5c76faed74fd22be236
Uploaded: 2022-06-01 13:54:42 +0000

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METADATA

Metadata-Version: 2.1
Name: Fragmenstein
Version: 0.9.3
Summary: Scaffold hopping between bound compounds by stitching them together like a reanimated corpse
Author: Matteo Ferla
Author-Email: matteo.ferla[at]gmail.com
Home-Page: https://github.com/matteoferla/Fragmenstein
License: MIT
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
Requires-Dist: requests (>=2.27.1)
Requires-Dist: ipython (>=8.3.0)
Requires-Dist: numpy (>=1.22.4)
Requires-Dist: scipy (>=1.8.1)
Requires-Dist: pandas (>=1.4.2)
Requires-Dist: pebble (>=4.6.3)
Requires-Dist: nglview (>=3.0.3)
Requires-Dist: rdkit-pypi (>=2022.3.2.1)
Requires-Dist: rdkit-to-params (>=1.2.1)
Requires-Dist: molecular-rectifier (>=0.1.6)
Requires-Dist: singledispatchmethod (>=1.0)
Requires-Dist: typing-extensions (>=4.2.0)
Requires-Dist: matplotlib (>=3.5.2)
Requires-Dist: smallworld-api (>=1.1)
Requires-Dist: sqlitedict (>=2.0.0)
Requires-Dist: jupyter; extra == "jupyter"
Provides-Extra: jupyter
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 22103 characters]

WHEEL

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Fragmenstein-0.9.3.dist-info/RECORD

top_level.txt

fragmenstein
tests

entry_points.txt

fragmenstein = fragmenstein.cli:main