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1.2.0 route_distances-1.2.0-py3-none-any.whl

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Project: route-distances
Version: 1.2.0
Filename: route_distances-1.2.0-py3-none-any.whl
Download: [link]
Size: 26689
MD5: 659294ff30b975cdef18c58a3a954f7a
SHA256: 76759aa237b2a7442d6fe7c7706f0039b6fc76553cba5eaa5567048d47b33c89
Uploaded: 2024-01-24 14:38:22 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: route-distances
Version: 1.2.0
Summary: Models for calculating distances between synthesis routes
Author: Genheden, Samuel
Author-Email: samuel.genheden[at]astrazeneca.com
Home-Page: https://github.com/MolecularAI/route-distances/
Project-Url: Documentation, https://molecularai.github.io/route-distances/
Project-Url: Repository, https://github.com/MolecularAI/route-distances/
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: apted (<2.0.0,>=1.0.3)
Requires-Dist: optuna (<3.0.0,>=2.5.0)
Requires-Dist: pandas (<2.0.0,>=1.5.0)
Requires-Dist: pydantic (<2.0.0,>=1.8.0)
Requires-Dist: python-dateutil (<3.0.0,>=2.8.2)
Requires-Dist: pytorch-lightning (<1.8.4,>=1.6.0)
Requires-Dist: pytorch-tree-lstm (<0.2.0,>=0.1.3)
Requires-Dist: rdkit (<2023.0.0,>=2022.3.3)
Requires-Dist: scikit-learn (>0.21.0)
Requires-Dist: tables (<4.0.0,>=3.6.0)
Requires-Dist: torch (<2.0.0,>=1.7.1)
Description-Content-Type: text/markdown
[Description omitted; length: 4228 characters]

WHEEL

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RECORD

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route_distances/lstm/utils.py sha256=1qDwRhidSOBgRTWL40j9U6ReC6kaFTt2kPsaONm5iwo 4053
route_distances/route_distances.py sha256=EB5UxegTmfJbE3TabtUA5GnRvtnEFAqWvB8vlXX43Zc 1245
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route_distances-1.2.0.dist-info/RECORD — —

entry_points.txt

[console_scripts]
cluster_aizynth_output = route_distances.tools.cluster_aizynth_output:main
prepare_aizynthfinder_output = route_distances.tools.prepare_aizynthfinder_output:main
train_lstm_model = route_distances.tools.train_lstm_model:main