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1.1.1 mlcolvar-1.1.1-py3-none-any.whl

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Project: mlcolvar
Version: 1.1.1
Filename: mlcolvar-1.1.1-py3-none-any.whl
Download: [link]
Size: 78260
MD5: 1b5a1a0e07399d491602a6e2ebcdb085
SHA256: 4c86699a83cb8cebaf78945d83adbf2be1e98242cf8006a528b06c1b0c7514a4
Uploaded: 2024-06-12 17:08:54 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: mlcolvar
Version: 1.1.1
Summary: Machine learning collective variables for enhanced sampling
Author: Enrico Trizio, Andrea Rizzi, Michele Parrinello
Author-Email: Luigi Bonati <luigi.bonati[at]iit.it>
Project-Url: Source, https://github.com/luigibonati/mlcolvar/
Project-Url: Documentation, https://mlcolvar.readthedocs.io/
License: MIT
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering
Classifier: Natural Language :: English
Requires-Python: >=3.8
Requires-Dist: lightning
Requires-Dist: torch (<2.3)
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: scipy (<1.11.0)
Requires-Dist: KDEpy
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: nbsphinx; extra == "doc"
Requires-Dist: furo; extra == "doc"
Requires-Dist: sphinx-copybutton; extra == "doc"
Requires-Dist: pytest (>=6.1.2); extra == "test"
Requires-Dist: pytest-runner; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: codecov; extra == "test"
Requires-Dist: nbmake; extra == "test"
Provides-Extra: doc
Provides-Extra: test
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3821 characters]

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top_level.txt

mlcolvar