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DEERPREdict

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0.2.0 DEERPREdict-0.2.0-py2.py3-none-any.whl

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Project: DEERPREdict
Version: 0.2.0
Filename: DEERPREdict-0.2.0-py2.py3-none-any.whl
Download: [link]
Size: 1208960
MD5: bdbf916c4fd779fd758bf30f252788a5
SHA256: 740916fb7c37299150780490ac7120f4d69a4345ec502299d77c71083b824e2a
Uploaded: 2021-12-20 22:50:01 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: DEERPREdict
Version: 0.2.0
Summary: A package for DEER and PRE predictions based on molecular dynamics ensembles. Can be installed with pip.
Author: João M Martins, Micha BA Kunze, Ramon Crehuet and Giulio Tesei
Author-Email: giulio.tesei[at]bio.ku.dk
Home-Page: https://github.com/KULL-Centre/DEERpredict
License: GPLv3
Classifier: Environment :: Console
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: GNU General Public License (GPL)
Requires-Dist: Cython
Requires-Dist: MDAnalysis (==1.1.1)
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: scipy
Requires-Dist: h5py
Requires-Dist: pyyaml
Requires-Dist: sphinx
Requires-Dist: recommonmark
Requires-Dist: sphinx-rtd-theme
Requires-Dist: sphinx-math-dollar
Requires-Dist: sphinx-markdown-tables
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 2211 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
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DEERPREdict/PRE.py sha256=KhC_KrmkoDNfuKDPm0lNxkueSh5uubwTXEpC01TadXY 9144
DEERPREdict/__init__.py sha256=sz054x4kwMo3a1QwugxyUqvP0cwuroQHudH8_ZRGVt8 49
DEERPREdict/lennardjones.py sha256=C5Smn3sAYM8v6ZQlA7bOZzEFtnOFkdqfbKjxto8yMbs 958
DEERPREdict/libraries.py sha256=Sq3_xh7qd6nVtkQxGHJrCrSTV_vIPxPvt67bvKsFIqM 5245
DEERPREdict/utils.py sha256=kS451zhdXe2qVeO6YHIkEaSfJURyyPOW5s748IqoY3c 9255
DEERPREdict/lib/MTSSL_175K_CaSd_216.dcd sha256=6yRYDbdLuo75aE8tgfk45aR9G4cPJZzaPyZmw-fc5bI 118644
DEERPREdict/lib/MTSSL_175K_CaSd_216.txt sha256=cMqfn-AkAh1j39Q205_XsWScZ1zgmmU5kE0s5D2D4K8 373090
DEERPREdict/lib/MTSSL_175K_CaSd_216_weights.txt sha256=LvTgNCCRWS83863vZ9GHO62uq6Wg4OSAEukma7ndLcw 5400
DEERPREdict/lib/MTSSL_175K_X1X2.pdb sha256=Az9UBnZqR4bo7W3PzkEWMowey0vo7n1YVjtlzmcQY1Y 3966
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DEERPREdict/lib/MTSSL_CaSd.pdb sha256=Tg9BL1w8QmnIaSVOA2_dC8S9b8S8DM8wfP_7lud2meY 3966
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DEERPREdict/lib/R1A_298K_UFF_216_r3_CASD.txt sha256=4er4J9DaWIe3zdIYVvZSSCku3i94RFlgMYDNQvtwqYs 364762
DEERPREdict/lib/R1A_298K_UFF_216_r3_CASD_weights.txt sha256=cDpVZo9Mml9ulXbsoFAVA9w7oF3iVFwk1cbHj5lKucg 5400
DEERPREdict/lib/R1A_298K_UFF_216_r4_CASD.dcd sha256=8JALhPg1dDb8UieByGM6rHQTinRUgYp4lb-IbSvdt1Y 118644
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DEERPREdict/lib/R1A_298K_UFF_216_r4_CASD_weights.txt sha256=zfhI6p3sJAmJYKqqWalACcLT77OULzqxC9Tot8FyVug 5400
DEERPREdict/lib/R1A_298K_UFF_216_r5_CASD.dcd sha256=0hpRZxUKueeRyo4pFdzRGytGYBygatA-u7y3QBi7MxE 118644
DEERPREdict/lib/R1A_298K_UFF_216_r5_CASD.txt sha256=S3rhscvaIvRfOPBM98xihzTfVW-zlGq03fcs8FFLiAM 364846
DEERPREdict/lib/R1A_298K_UFF_216_r5_CASD_weights.txt sha256=QcdFJqKZJFkjhu-2F23dE9W4FuFIgcb9H7ps6bAMccY 5400
DEERPREdict/lib/libraries.yml sha256=Ypwbe20bOjiHlXXnZSa4SJ_q5DAceEMzkLcS1TjfGrk 1373
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DEERPREdict-0.2.0.dist-info/WHEEL sha256=WzZ8cwjh8l0jtULNjYq1Hpr-WCqCRgPr--TX4P5I1Wo 110
DEERPREdict-0.2.0.dist-info/top_level.txt sha256=zCqtf5cS2DAWvv0kpriuPC7JOb-hdT-bYyE_2Ifz-HE 12
DEERPREdict-0.2.0.dist-info/RECORD — —

top_level.txt

DEERPREdict