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pymbar

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4.0.3

pymbar-4.0.3-py3-none-any.whl

Wheel Details

Project:	pymbar
Version:	4.0.3
Filename:	pymbar-4.0.3-py3-none-any.whl
Download:	[link]
Size:	107398
MD5:	`5f6c14cdbb3172d3d3a8287f40ab86c0`
SHA256:	`302bc12199ab8bb234cac381ed11c63b2c1376f57ff8550cb6ecdb34276d9ef8`
Uploaded:	2024-03-21 17:25:57 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version:	2.1
Name:	pymbar
Version:	4.0.3
Summary:	Python implementation of the multistate Bennett acceptance ratio (MBAR) method
Author:	Levi N. Naden and Jaime Rodriguez-Guerra and Michael R. Shirts and John D. Chodera
Author-Email:	levi.naden[at]choderalab.org, jaime.rodriguez-guerra[at]choderalab.org, michael.shirts[at]virginia.edu, john.chodera[at]choderalab.org
Home-Page:	http://github.com/choderalab/pymbar
License:	MIT
Keywords:	molecular mechanics,forcefield,Bayesian parameterization
Classifier:	License :: OSI Approved :: MIT License
Classifier:	Programming Language :: Python :: 3
Requires-Python:	>=3.6
Requires-Dist:	numpy (>=1.12)
Requires-Dist:	scipy
Requires-Dist:	numexpr
Requires-Dist:	jaxlib; platform_system != "Windows" and extra == "jax"
Requires-Dist:	jax; platform_system != "Windows" and extra == "jax"
Provides-Extra:	jax

[Description omitted; length: 292 characters]

WHEEL

Wheel-Version:	1.0
Generator:	bdist_wheel (0.34.2)
Root-Is-Purelib:	true
Tag:	py3-none-any

RECORD

Path	Digest	Size
pymbar/__init__.py	sha256=a0raYnz1IyVcLA3CXRioWzZfeSDks6-xdVh769fr1Z4	1709
pymbar/_version.py	sha256=8_-YuDRnTBrczkGd1zxY_eGoJCjX7QxBq0pauR06CKA	497
pymbar/confidenceintervals.py	sha256=dk9nQGkcnIvtKXcLHFxxJznY3HhZZziCVTG99DD87l4	15972
pymbar/fes.py	sha256=EDL8Q_Lqa0YhWzeMMMx26jUicutHJkv3fy5YNaIA9jk	96100
pymbar/mbar.py	sha256=We7KDfIYBWlFWdPBoUx7Ij87B3hQ5FAVvKqWVQDTTvI	84529
pymbar/mbar_solvers.py	sha256=jWJTkQylcEv6it4j_gZ2izCbjF7alWNla3b8Ovv1hjI	36598
pymbar/other_estimators.py	sha256=w8Zd6A6Z81wKpW5F_0bphxBVlWL8ihyrpWRBQLAtjY4	29353
pymbar/timeseries.py	sha256=QLKli9X4m8v8fcA8kn3qvPi0riAN5B3rBaEjBmtAz-w	35402
pymbar/utils.py	sha256=y9SmXeYKtOWB2KuoPZ-Q8Ne9CKxTWkc4ve3iRCjPM6Y	13187
pymbar/utils_for_testing.py	sha256=8PmwitfNOL9PT7Y3ljZCItDSxAzvgXt5bntGhcHNQIs	2729
pymbar/version.py	sha256=FDPCgUNmgUi3K2WJSalDQFoQOclYwpckzKty0SdzFDY	233
pymbar/tests/__init__.py	sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU	0
pymbar/tests/test_bar.py	sha256=XYxgpCIuFtScHc5xtxAwsXMbmasGtme2MST7L-8wPIs	4365
pymbar/tests/test_covariance.py	sha256=BNtSMtk8B6Yeqd-trntDikvw5YDtqMlGyocmiXIreBc	1242
pymbar/tests/test_exp.py	sha256=EaT7rUbRbLb0xOnFq88Bmaixf7VXcSEHgTSQZPcj22s	3377
pymbar/tests/test_fes.py	sha256=AHPYby369ti0dofgUSRQbkvBYYonLBy6WmqhCNNjQEY	18486
pymbar/tests/test_mbar.py	sha256=FAPowCqKemkPCaf_3Y5Bz_NRyUx5KgJz9GgDtLOtB3I	18674
pymbar/tests/test_mbar_solvers.py	sha256=LOHUg8vUtleGwedcr7MbnkYREAVUbZMSVM6wRmrdS7s	3151
pymbar/tests/test_timeseries.py	sha256=5IPJEtCUw4pcJ10myJjT_FGFc6eaAPTnZgG05gYusaw	6492
pymbar/tests/test_utils.py	sha256=8Clr3LkTb632alQpjc468LeY2kYKVVDHZVYFKzopbbA	7172
pymbar/testsystems/__init__.py	sha256=zJ2jyuarhDVUAtSYJGeeO9JuGigik0iMTgK0fIFfz0I	473
pymbar/testsystems/exponential_distributions.py	sha256=Z4WPFJBXc0lwUQQp96vAyUItWsO_8gzaYANSJLRTWx0	8858
pymbar/testsystems/gaussian_work.py	sha256=sooU1ou1VY-oTdwe0mSAjFh-CY5aDItW-FltjDM7y30	3590
pymbar/testsystems/harmonic_oscillators.py	sha256=g2K9vGxtqz_i03NW7T926QwMLsNIPMHFody85hIhvB0	9778
pymbar/testsystems/timeseries.py	sha256=2aXpdkXOjVmm_8kdSFlpRpUTP0hscNJXCpZZK_H8gy8	2430
pymbar-4.0.3.dist-info/LICENSE	sha256=sGIWsllihWcpNpgEZxsQrH2u0iN1l_KFq8VAw2PBnaI	1098
pymbar-4.0.3.dist-info/METADATA	sha256=JHXSkVsreFfuqTdK_uT1wMStYY0zofV3m5O9P7vZ7_4	1165
pymbar-4.0.3.dist-info/WHEEL	sha256=g4nMs7d-Xl9-xC9XovUrsDHGXt-FT0E17Yqo92DEfvY	92
pymbar-4.0.3.dist-info/top_level.txt	sha256=0XLtiDjGQPuTxrbDzYMJArKLokB4IX7CC3XwcUoHub0	7
pymbar-4.0.3.dist-info/RECORD	—	—

top_level.txt

pymbar