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2.4.1 alchemlyb-2.4.1-py3-none-any.whl

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Project: alchemlyb
Version: 2.4.1
Filename: alchemlyb-2.4.1-py3-none-any.whl
Download: [link]
Size: 99621
MD5: 155a9425beac839dcaa36e6ca43c9db1
SHA256: 32444f109a2695c6b5153e713f34f6d43babb83c24ce70869fff052dd845e2b7
Uploaded: 2024-09-19 18:16:41 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: alchemlyb
Version: 2.4.1
Summary: the simple alchemistry library
Author-Email: Zhiyi Wu <william[at]zhiyiwu.me>, David Dotson <dotsdl[at]gmail.com>
Maintainer-Email: Zhiyi Wu <william[at]zhiyiwu.me>, Oliver Beckstein <orbeckst[at]gmail.com>
Project-Url: Homepage, https://github.com/alchemistry/alchemlyb
Project-Url: Documentation, https://alchemlyb.readthedocs.io/
Project-Url: Repository, https://github.com/alchemistry/alchemlyb
Project-Url: Issues, https://github.com/alchemistry/alchemlyb/issues
Project-Url: Changelog, https://github.com/alchemistry/alchemlyb/blob/master/CHANGES
Project-Url: Discussions, https://github.com/alchemistry/alchemlyb/discussions
License: BSD
Keywords: free energy,MBAR,thermodynamic integration,free energy perturbation,FEP,alchemistry,analysis,GROMACS,NAMD,AMBER,molecular dynamics
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: POSIX
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.10
Requires-Dist: numpy
Requires-Dist: pandas (>=2.1)
Requires-Dist: pymbar (>=4)
Requires-Dist: scipy
Requires-Dist: scikit-learn
Requires-Dist: matplotlib (>=3.7)
Requires-Dist: loguru
Requires-Dist: pyarrow
Requires-Dist: pytest; extra == "tests"
Requires-Dist: alchemtest; extra == "tests"
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: AUTHORS
[Description omitted; length: 3396 characters]

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top_level.txt

alchemlyb