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mbGDML

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0.1.1 mbGDML-0.1.1-py3-none-any.whl

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Project: mbGDML
Version: 0.1.1
Filename: mbGDML-0.1.1-py3-none-any.whl
Download: [link]
Size: 157251
MD5: 06d64bce5a190b82b55629250bfd7718
SHA256: 5f17e673ad49d40315a0a43fd3fcac1e259dbef6624fd4d29b2b2e8f44444092
Uploaded: 2023-07-13 13:34:50 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: mbGDML
Version: 0.1.1
Summary: Create, use, and analyze machine learning potentials within the many-body expansion framework
Author: Alex M. Maldonado
Author-Email: aalexmmaldonado[at]gmail.com
Home-Page: https://github.com/keithgroup/mbGDML
License: MIT license
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.7
Requires-Dist: ase
Requires-Dist: cclib (>=1.7)
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: psutil
Requires-Dist: bayesian-optimization (>=1.4.0)
Requires-Dist: pandas
Requires-Dist: qcelemental (>=0.25.1)
Requires-Dist: pydantic (<2.0.0)
Requires-Dist: ray (>=2.0.0)
Requires-Dist: pytest
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: NOTICE
[Description omitted; length: 6414 characters]

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Tag: py3-none-any

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mbGDML-0.1.1.dist-info/RECORD — —

top_level.txt

mbgdml