reaction-utils

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1.4.0 reaction_utils-1.4.0-py3-none-any.whl

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Project: reaction-utils
Version: 1.4.0
Filename: reaction_utils-1.4.0-py3-none-any.whl
Download: [link]
Size: 67828
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Uploaded: 2024-03-14 09:54:47 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: reaction_utils
Version: 1.4.0
Summary: Utilities for working with reactions, reaction templates and template extraction
Author: Genheden, Samuel
Author-Email: samuel.genheden[at]astrazeneca.com
Home-Page: https://github.com/MolecularAI/reaction_utils/
Project-Url: Documentation, https://molecularai.github.io/reaction_utils/
Project-Url: Repository, https://github.com/MolecularAI/reaction_utils/
License: Apache-2.0
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Python: >=3.9,<3.11
Requires-Dist: Deprecated (<2.0.0,>=1.2.13)
Requires-Dist: PyYAML (<7.0.0,>=6.0.1)
Requires-Dist: cgrtools (<5.0.0,>=4.1.35)
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Requires-Dist: urllib3 (<2.0)
Requires-Dist: wrapt-timeout-decorator (<2.0.0,>=1.3.12)
Requires-Dist: xxhash (<3.0.0,>=2.0.0)
Description-Content-Type: text/markdown
[Description omitted; length: 4388 characters]

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