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linchemin

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2.2.5 linchemin-2.2.5-py3-none-any.whl

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Project: linchemin
Version: 2.2.5
Filename: linchemin-2.2.5-py3-none-any.whl
Download: [link]
Size: 121018
MD5: cab18bccc7fbdd0fdd4e27076e434a74
SHA256: 19ef49b8616641da762b7cb84c9bf36d436e19e33530028edc227019f54a424b
Uploaded: 2023-11-02 14:09:54 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: linchemin
Version: 2.2.5
Summary: Toolkit to create, manipulate, and query networks of Chemical Reactions and Chemicals
Author-Email: Marco Stenta <marco.stenta[at]syngenta.com>, Marta Pasquini <marta.pasquini[at]syngenta.com>
Project-Url: homepage, https://linchemin.github.io
Project-Url: repository, https://github.com/syngenta/linchemin
License: MIT License Copyright (c) 2022 Syngenta Group Co. Ltd. Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Keywords: reaction,chemoinformatics,computer-aided synthesis planning
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: OS Independent
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.8
Requires-Dist: dynaconf
Requires-Dist: hdbscan (>=0.8.29)
Requires-Dist: joblib
Requires-Dist: networkx
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: pydantic (<2,>=1)
Requires-Dist: pydot
Requires-Dist: pyyaml
Requires-Dist: requests
Requires-Dist: rdchiral
Requires-Dist: rdkit (>=2022.3)
Requires-Dist: scikit-learn
Requires-Dist: bumpver; extra == "dev"
Requires-Dist: flake8 (==6.0.0); extra == "dev"
Requires-Dist: isort (==5.12.0); extra == "dev"
Requires-Dist: pre-commit (==3.2.*); extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: sphinx; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3289 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.3)
Root-Is-Purelib: true
Tag: py3-none-any

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linchemin-2.2.5.dist-info/RECORD — —

top_level.txt

linchemin

entry_points.txt

[console_scripts]
linchemin = linchemin.interfaces.cli:linchemin_cli
linchemin_configure = linchemin.configuration.config:configure