jaqpotpy

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Project: jaqpotpy
Version: 1.0.72
Filename: jaqpotpy-1.0.72-py3-none-any.whl
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Uploaded: 2022-08-15 08:09:53 +0000

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METADATA

Metadata-Version: 2.1
Name: jaqpotpy
Version: 1.0.72
Summary: Standardizing molecular modeling
Author: Pantelis Karatzas
Author-Email: pantelispanka[at]gmail.com
Home-Page: https://github.com/euclia/jaqpotpy
License: MIT License
Requires-Dist: pandas
Requires-Dist: requests
Requires-Dist: pydantic
Requires-Dist: rdkit-pypi
Requires-Dist: mordred
Requires-Dist: pyjwt
Requires-Dist: scikit-learn
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 52 characters]

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