fitsnap3

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3.1.0.4 fitsnap3-3.1.0.4-py3-none-any.whl

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Project: fitsnap3
Version: 3.1.0.4
Filename: fitsnap3-3.1.0.4-py3-none-any.whl
Download: [link]
Size: 221476
MD5: 38720767e75bc5eaa292cd8d28f47551
SHA256: 0b867eea8de475c3a5fe66474aba4d188a5094892b60a7f0490e87c886980e36
Uploaded: 2023-06-04 12:17:01 +0000

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METADATA

Metadata-Version: 2.1
Name: fitsnap3
Version: 3.1.0.4
Summary: Molecular Machine Learning Interface
Author-Email: Drew Rohskopf <adrohsk[at]sandia.gov>
Maintainer-Email: Drew Rohskopf <adrohsk[at]sandia.gov>
Project-Url: repository, https://github.com/FitSNAP/FitSNAP
Project-Url: documentation, https://fitsnap.github.io/
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Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9.0
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: scikit-learn
Requires-Dist: virtualenv
Requires-Dist: psutil
Requires-Dist: pandas
Requires-Dist: tabulate
Requires-Dist: mpi4py
Requires-Dist: Cython
Requires-Dist: torch
Requires-Dist: sympy
Requires-Dist: pyyaml
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3795 characters]

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