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1.0.4 autodft-1.0.4-py3-none-any.whl

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Project: autodft
Version: 1.0.4
Filename: autodft-1.0.4-py3-none-any.whl
Download: [link]
Size: 60050
MD5: ab6c2bb18d94c3b06cc0bcba9738ca4a
SHA256: b5be196927c89fb4575f70bb29c56449d06667b089916f8154ec982befbd4415
Uploaded: 2024-05-06 19:32:21 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: autodft
Version: 1.0.4
Summary: Automated conformer searching and DFT calculations
Author: Shenvi Lab
Author-Email: sting[at]scripps.edu
Home-Page: https://github.com/shenvilab/autodft
License: GPL-v3
Requires-Python: >=3.10
Requires-Dist: rdkit (>=2022.03.1)
Requires-Dist: pandas
Requires-Dist: goodvibes (>=3.2)
Requires-Dist: cclib
Requires-Dist: pyyaml (>=6.0)
Description-Content-Type: text/markdown
License-File: LICENSE.txt
[Description omitted; length: 10626 characters]

WHEEL

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RECORD

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autodft-1.0.4.dist-info/RECORD — —

top_level.txt

autodft