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1.0.2 mpdd_alignn-1.0.2-py3-none-any.whl

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Project: mpdd-alignn
Version: 1.0.2
Filename: mpdd_alignn-1.0.2-py3-none-any.whl
Download: [link]
Size: 122882
MD5: f9170770cfe348eb8b279b7914fe1ca5
SHA256: a543395b014321286a3cd7c1e3850bcb46adc6902516add253dcdedb0d888f85
Uploaded: 2024-02-19 04:56:55 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: mpdd-alignn
Version: 1.0.2
Summary: A version of the NIST-JARVIS ALIGNN optimized in terms of model performance and to some extent reliability, for large-scale deployments over the MPDD infrastructure by Phases Research Lab.
Author-Email: Adam Krajewski <ak[at]psu.edu>
Project-Url: Research Page, https://phaseslab.com/mpdd
Project-Url: Homepage, https://phaseslab.org
Project-Url: OPTIMADE Access, https://optimade.mpdd.org
Project-Url: Simple GUI, http://mpdd.org
Project-Url: Bug Tracker, https://github.com/PhasesResearchLab/MPDD/issues
Project-Url: ALIGNN, https://github.com/usnistgov/alignn
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.9
Requires-Dist: numpy (>=1.26.0)
Requires-Dist: scipy (>=1.11.0)
Requires-Dist: jarvis-tools (>=2021.07.19)
Requires-Dist: torch (==2.1.0)
Requires-Dist: dgl (>=1.1.3)
Requires-Dist: spglib (==2.0.2)
Requires-Dist: scikit-learn (>=1.3.1)
Requires-Dist: matplotlib (>=3.4.1)
Requires-Dist: tqdm (>=4.60.0)
Requires-Dist: pandas (>=1.2.3)
Requires-Dist: pydantic (==1.8.1)
Requires-Dist: ruamel.yaml
Requires-Dist: pysmartdl2
Requires-Dist: pytorch-ignite (>=0.5.0.dev20221024); extra == "full"
Requires-Dist: ase; extra == "full"
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Requires-Dist: pyparsing (<3,>=2.2.1); extra == "full"
Requires-Dist: accelerate (>=0.20.3); extra == "full"
Provides-Extra: full
Description-Content-Type: text/markdown
License-File: LICENSE.md
[Description omitted; length: 3561 characters]

WHEEL

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top_level.txt

alignn