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aizynthfinder

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4.3.1 aizynthfinder-4.3.1-py3-none-any.whl

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Project: aizynthfinder
Version: 4.3.1
Filename: aizynthfinder-4.3.1-py3-none-any.whl
Download: [link]
Size: 131839
MD5: ec5c70ecaf6bcdda9dd1d071dab99dd1
SHA256: 338b8614b10bad14d7abdb85b993015c668a58524702b991a85567661845a1c5
Uploaded: 2024-12-05 12:52:12 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: aizynthfinder
Version: 4.3.1
Summary: Retrosynthetic route finding using neural network guided Monte-Carlo tree search
Author: Molecular AI group
Author-Email: samuel.genheden[at]astrazeneca.com
Home-Page: https://github.com/MolecularAI/aizynthfinder/
Project-Url: Documentation, https://molecularai.github.io/aizynthfinder/
Project-Url: Repository, https://github.com/MolecularAI/aizynthfinder/
License: MIT
Classifier: License :: OSI Approved :: MIT 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,>=1.2.10)
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Requires-Dist: molbloom (<3.0.0,>=2.1.0); extra == "all"
Requires-Dist: networkx (<3.0,>=2.4)
Requires-Dist: notebook (<7.0.0,>=6.5.3)
Requires-Dist: numpy (<2.0.0)
Requires-Dist: onnxruntime (<1.17.0)
Requires-Dist: pandas (<2.0.0,>=1.0.0)
Requires-Dist: paretoset (<2.0.0,>=1.2.3)
Requires-Dist: pillow (<10.0.0,>=9.0.0)
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Requires-Dist: rdchiral (<2.0.0,>=1.0.0)
Requires-Dist: rdkit (<2023.0.0,>=2022.3.3)
Requires-Dist: requests (<3.0.0,>=2.23.0)
Requires-Dist: route-distances (<2.0.0,>=1.1.1); extra == "all"
Requires-Dist: scipy (<2.0,>=1.0); extra == "all"
Requires-Dist: seaborn (<0.14.0,>=0.13.2)
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Requires-Dist: tensorflow-serving-api (<3.0.0,>=2.1.0); extra == "tf"
Requires-Dist: timeout-decorator (<0.6.0,>=0.5.0); extra == "all"
Requires-Dist: tqdm (<5.0.0,>=4.42.1)
Provides-Extra: all
Provides-Extra: tf
Description-Content-Type: text/markdown
[Description omitted; length: 5550 characters]

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entry_points.txt

[console_scripts]
aizynthapp = aizynthfinder.interfaces.aizynthapp:main
aizynthcli = aizynthfinder.interfaces.aizynthcli:main
cat_aizynth_output = aizynthfinder.tools.cat_output:main
download_public_data = aizynthfinder.tools.download_public_data:main
smiles2stock = aizynthfinder.tools.make_stock:main