graphchem

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2.1.4 graphchem-2.1.4-py3-none-any.whl

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Project: graphchem
Version: 2.1.4
Filename: graphchem-2.1.4-py3-none-any.whl
Download: [link]
Size: 21607
MD5: 8ea7b92f5fb2453691724bb7e0d1fc26
SHA256: f92dbd0649e8b9957da711f80ff9deb3405864964f7be3e38c271cb6f55c9614
Uploaded: 2024-12-21 20:21:23 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: graphchem
Version: 2.1.4
Summary: Graph-based machine learning for chemical property prediction
Author-Email: Travis Kessler <travis.j.kessler[at]gmail.com>
Project-Url: Homepage, https://github.com/ecrl/graphchem
Project-Url: Bug Tracker, https://github.com/ecrl/graphchem/issues
Classifier: Programming Language :: Python :: 3.11
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.11
Requires-Dist: rdkit-pypi (==2022.9.5)
Requires-Dist: torch (==2.4.0)
Requires-Dist: torch-geometric (==2.3.0)
Requires-Dist: numpy (==1.26.4)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2234 characters]

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graphchem