Wheelodex » Projects » DEERPREdict » DEERPREdict-0.2.1-py2.py3-none-any.whl

DEERPREdict

View on PyPI — Reverse Dependencies (0)

0.2.1 DEERPREdict-0.2.1-py2.py3-none-any.whl

Wheel Details

Project: DEERPREdict
Version: 0.2.1
Filename: DEERPREdict-0.2.1-py2.py3-none-any.whl
Download: [link]
Size: 1209031
MD5: 96574678be8ca656c6472fd4682a6dc1
SHA256: ca03bde3e05ffed8d0fd33a020fe05f75469b989425b3968e174d17c816dc876
Uploaded: 2024-09-09 12:06:29 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: DEERPREdict
Version: 0.2.1
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
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: pytest
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: 2385 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.38.4)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

Path Digest Size
DEERPREdict/DEER.py sha256=TiLtbUCFBts9lRDd_hB4BLrK7fyFcwDp-VZJMI9ocKc 8478
DEERPREdict/PRE.py sha256=KhC_KrmkoDNfuKDPm0lNxkueSh5uubwTXEpC01TadXY 9144
DEERPREdict/__init__.py sha256=b-4z7EA6_hFSCHaQ5d8zrwKW9lz8L08cymJtTTT4plY 49
DEERPREdict/lennardjones.py sha256=C5Smn3sAYM8v6ZQlA7bOZzEFtnOFkdqfbKjxto8yMbs 958
DEERPREdict/libraries.py sha256=Sq3_xh7qd6nVtkQxGHJrCrSTV_vIPxPvt67bvKsFIqM 5245
DEERPREdict/utils.py sha256=iWeMpPb6GBO5yKDuyiFAqNx9McYjNEyDcJWqdKoZ3T4 9290
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
DEERPREdict/lib/MTSSL_175K_X1X2_46.dcd sha256=YQuxpUCw1aL0IofTTa8loZ4WqotK4gGHcwSYb6Ldxzk 25484
DEERPREdict/lib/MTSSL_175K_X1X2_46.txt sha256=HqsYW6Xl43JTGR0WNKLpYnEaI-7XuwD2Nz5UBYNz2BA 82306
DEERPREdict/lib/MTSSL_175K_X1X2_46_weights.txt sha256=EJh5FKj6GRiFv4QyJdw59tegUU1R1CzPekeT2hdHU8k 1150
DEERPREdict/lib/MTSSL_CaSd.pdb sha256=Tg9BL1w8QmnIaSVOA2_dC8S9b8S8DM8wfP_7lud2meY 3966
DEERPREdict/lib/R1A_298K_UFF_216_r1_CASD.dcd sha256=UZgG--Tyfr17-OPbEo2JOCJ4WoRoB4m7Jn8dTwG8Mfo 118644
DEERPREdict/lib/R1A_298K_UFF_216_r1_CASD.txt sha256=eE3LTw57DK2aT3XB-gNVIYMAmUMPP3APdXISzH8kdSU 364777
DEERPREdict/lib/R1A_298K_UFF_216_r1_CASD_weights.txt sha256=o1qoPdEkd1_0UjxxMOhrVxOmuevKzsCcTNT91XfPXQs 5400
DEERPREdict/lib/R1A_298K_UFF_216_r2_CASD.dcd sha256=QkMekAlBXF7Rm6XUv4Dw4J2sV_BDHzbrVMJik3fGji0 118644
DEERPREdict/lib/R1A_298K_UFF_216_r2_CASD.txt sha256=N2RM-rmRDLABlzLUuyXgGzqd-EFu_bgVJpLvKGGFgn8 364594
DEERPREdict/lib/R1A_298K_UFF_216_r2_CASD_weights.txt sha256=hecGNbE4QirnDSkS5ZHp8aH4aa0774nkb3n8CqtKKyU 5400
DEERPREdict/lib/R1A_298K_UFF_216_r3_CASD.dcd sha256=R_MpcT72V1lxfjBdUL0tpUrxuaPxkOksp-jTfAfdGzw 118644
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
DEERPREdict/lib/R1A_298K_UFF_216_r4_CASD.txt sha256=-hhIjj4xcxUIvrvBUobiV8stlhCoAVy86nbqb9vn74Y 364731
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
DEERPREdict-0.2.1.dist-info/LICENSE sha256=6Pvt_hbYI8xVuSCY_U_Lt77K7Wa8ESsL6bNeYIqfQtA 35655
DEERPREdict-0.2.1.dist-info/METADATA sha256=0JXJXsRBIQ4y18D151Q13_gcH3d96Duau5_jD8VJQUs 3645
DEERPREdict-0.2.1.dist-info/WHEEL sha256=bb2Ot9scclHKMOLDEHY6B2sicWOgugjFKaJsT7vwMQo 110
DEERPREdict-0.2.1.dist-info/top_level.txt sha256=zCqtf5cS2DAWvv0kpriuPC7JOb-hdT-bYyE_2Ifz-HE 12
DEERPREdict-0.2.1.dist-info/RECORD — —

top_level.txt

DEERPREdict