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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