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0.1.8 auglichem-0.1.8-py3-none-any.whl

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Project: auglichem
Version: 0.1.8
Filename: auglichem-0.1.8-py3-none-any.whl
Download: [link]
Size: 62235
MD5: 68dd0fa1495a35706c27fca1d86fbfb0
SHA256: 80252de7b0774eda04d52b210d6120c84a604ce4415d28366c25eed4fba8c56b
Uploaded: 2022-05-16 17:51:28 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: auglichem
Version: 0.1.8
Summary: Data augmentation of molecules and crystals.
Author: Yuyang Wange, Rishikesh Magar, Cooper Lorsung, Hariharan Ramasubramanian, Chen Liang, Peiyuan Li, Amir Barati Farimani
Author-Email: clorsung[at]andrew.cmu.edu
Home-Page: https://github.com/BaratiLab/AugLiChem
License: MIT
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Requires-Dist: numpy (>=1.21.1)
Requires-Dist: pytest (>=6.0.1)
Requires-Dist: pytest-cov
Requires-Dist: sklearn
Requires-Dist: pandas (>=1.3.1)
Requires-Dist: matplotlib (>=3.4.2)
Requires-Dist: pyyaml (>=5.4.1)
Requires-Dist: tqdm
Requires-Dist: ase (>=3.22.0)
Requires-Dist: pymatgen (>=2022.0.11)
Requires-Dist: rdflib
Requires-Dist: torch (>=1.10)
Requires-Dist: rdkit-pypi
Requires-Dist: tensorboard (>=2.4.1)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4582 characters]

WHEEL

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Tag: py3-none-any

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auglichem-0.1.8.dist-info/RECORD — —

top_level.txt

auglichem