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0.4.1 syntheseus-0.4.1-py3-none-any.whl

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Project: syntheseus
Version: 0.4.1
Filename: syntheseus-0.4.1-py3-none-any.whl
Download: [link]
Size: 165945
MD5: 0ef5a59642beec910857c7038e1e99c1
SHA256: 195261cae5d16b995c41a572cce83ac60f490604bdfbab72e7b4322ef7dbe008
Uploaded: 2024-05-07 16:01:17 +0000

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

METADATA

Metadata-Version: 2.1
Name: syntheseus
Version: 0.4.1
Summary: A package for retrosynthetic planning.
Author: Austin Tripp, Krzysztof Maziarz, Guoqing Liu, Megan Stanley, Marwin Segler
Project-Url: Documentation, https://microsoft.github.io/syntheseus
Project-Url: Repository, https://github.com/microsoft/syntheseus
License: MIT License Copyright (c) Microsoft Corporation. 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
Requires-Python: >=3.7
Requires-Dist: more-itertools
Requires-Dist: networkx
Requires-Dist: numpy
Requires-Dist: omegaconf
Requires-Dist: rdkit
Requires-Dist: tqdm
Requires-Dist: syntheseus[all-single-step,dev,viz]; extra == "all"
Requires-Dist: syntheseus[chemformer,graph2edits,local-retro,megan,mhn-react,retro-knn,root-aligned]; extra == "all-single-step"
Requires-Dist: syntheseus-chemformer (==0.1.1); extra == "chemformer"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Requires-Dist: syntheseus-graph2edits (==0.2.0); extra == "graph2edits"
Requires-Dist: syntheseus-local-retro (==0.4.0); extra == "local-retro"
Requires-Dist: syntheseus-megan (==0.1.0); extra == "megan"
Requires-Dist: syntheseus-mhnreact (==1.0.0); extra == "mhn-react"
Requires-Dist: syntheseus[local-retro]; extra == "retro-knn"
Requires-Dist: torch-scatter; extra == "retro-knn"
Requires-Dist: syntheseus-root-aligned (==0.1.0); extra == "root-aligned"
Requires-Dist: pillow; extra == "viz"
Requires-Dist: graphviz; extra == "viz"
Provides-Extra: all
Provides-Extra: all-single-step
Provides-Extra: chemformer
Provides-Extra: dev
Provides-Extra: graph2edits
Provides-Extra: local-retro
Provides-Extra: megan
Provides-Extra: mhn-react
Provides-Extra: retro-knn
Provides-Extra: root-aligned
Provides-Extra: viz
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3724 characters]

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syntheseus-0.4.1.dist-info/RECORD — —

top_level.txt

syntheseus

entry_points.txt

[console_scripts]
syntheseus = syntheseus.cli.main:main