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runnerase

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0.3.3 runnerase-0.3.3-py3-none-any.whl

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Project: runnerase
Version: 0.3.3
Filename: runnerase-0.3.3-py3-none-any.whl
Download: [link]
Size: 66869
MD5: b0a58ea0b13a6a7e1f7735faa6cb6a2c
SHA256: 4783ae7954659e205f113c65409448f2a243fb0d2fcfa27721aad23a05484e0d
Uploaded: 2023-04-28 13:15:49 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: runnerase
Version: 0.3.3
Summary: An Interface between the Runner Neural Network Energy Representation (RuNNer) and the Atomic Simulation Environment (ASE).
Author-Email: Alexander Knoll <alexknoll[at]mailbox.org>
Maintainer-Email: Alexander Knoll <alexknoll[at]mailbox.org>
Project-Url: Source, https://gitlab.com/runner-suite/runnerase
Project-Url: Bugs, https://gitlab.com/runner-suite/runnerase/issues
Project-Url: Documentation, https://runner-suite.gitlab.com/runnerase
License: GPLv3+
Keywords: computational chemistry,machine learning,atomic simulation environment
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Intended Audience :: Science/Research
Classifier: Development Status :: 4 - Beta
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Typing :: Typed
Requires-Python: >=3.6
Requires-Dist: numpy (>=1.17.0)
Requires-Dist: ase (>=3.19.0)
Requires-Dist: scikit-learn (>=1.2.0)
Requires-Dist: mkdocs (>=1.3.0); extra == "deploy"
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Requires-Dist: twine (>=4.0.0); extra == "deploy"
Requires-Dist: pytkdocs[numpy-style] (>=0.16.0); extra == "deploy"
Requires-Dist: mypy (>=0.942); extra == "test"
Requires-Dist: flake8 (>=4.0.0); extra == "test"
Requires-Dist: pylint (>=2.13.0); extra == "test"
Requires-Dist: pydocstyle (>=6.0.0); extra == "test"
Requires-Dist: pytest (>=7.1.0); extra == "test"
Requires-Dist: pytest-cov (>=3.0.0); extra == "test"
Provides-Extra: deploy
Provides-Extra: test
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1565 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.40.0)
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Tag: py3-none-any

RECORD

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runnerase-0.3.3.dist-info/RECORD — —

top_level.txt

runnerase