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predixy

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1.2.0 predixy-1.2.0-py3-none-any.whl

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Project: predixy
Version: 1.2.0
Filename: predixy-1.2.0-py3-none-any.whl
Download: [link]
Size: 48666
MD5: 158c81288d4ab99d72fd39823ed9bdb6
SHA256: faa4b33398cfe43faa6f1c3a27136dad323cc8982dce76fc86238505439c2f5d
Uploaded: 2020-12-21 15:07:13 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: predixy
Version: 1.2.0
Summary: A command line program to predict NICS-XY scan results based on an additivity scheme.
Author: Poranne group
Author-Email: renana.poranne[at]org.chem.ethz.ch
Home-Page: https://gitlab.com/porannegroup/predixy
License: GNU GPLv3
Keywords: chemistry aromaticity PAH aroma
Classifier: Development Status :: 5 - Production/Stable
Requires-Python: >=3.7, <4
Requires-Dist: numpy (>=1.19.2)
Requires-Dist: scipy (>=1.5.2)
Requires-Dist: pandas (>=1.1.2)
Requires-Dist: tabulate (>=0.8.7)
Requires-Dist: matplotlib (>=3.3.2)
Requires-Dist: networkx (>=2.5)
Description-Content-Type: text/markdown
[Description omitted; length: 1779 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.35.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
predixy/__init__.py sha256=hb-DTo4tFFxgN1y-1qceBNf95M8xZ-r7i2W91GuR5Hc 324
predixy/_version.py sha256=5GblYyMbk8JySosj59Rvi2uzLqfP-DAs77ikwTafXT4 21
predixy/additivity.py sha256=5Icqc52kF-xD2ng2Exuo-Bizs-VtHytDN-izHLDTFqI 19636
predixy/aroma.py sha256=DmJePVI6m2cL-K59AevFsmf5o8v8qjpXcbpCjsHPtig 2727
predixy/config.ini sha256=ySDOLZxCqOfG--nDtXA67sh4q1wBgCsFvJzvIjy2arI 485
predixy/const.py sha256=TcgfHEr7sFwE4Vv1eiyfkGwS2scCbV2HP3wgoG0hlW0 2938
predixy/core.py sha256=_-4Ks5HzNGLqftXGOx7TXZKcRY0ogqiPNoJiOaxNW1A 8846
predixy/fragments.py sha256=TegSPwFxDVt6DY-D-1PsuY_xd93_kR5ayFnSdRnDMD8 323
predixy/knot.py sha256=buY2vu10hTD8FzpJziql40X9k6KHgmt9aaexw2KUZsA 2122
predixy/knotidentifier.py sha256=OdZReow-q2wa-zA_W2QhY88iFGWBrCUf0xX1D--X4vs 8239
predixy/mol.py sha256=iUMYC2LFvbWqUsNTkAtporwVFi--BKRnmAcqf2jYa_4 2400
predixy/molloader.py sha256=oIguYc4lMkCduibD2iUXxpbn0FcXB6vepmDMSjWxmZE 3512
predixy/path.py sha256=kZ5-Ksn4bNWA1rE888FBvEyFinbK1QCGXu1FhXUjDyo 470
predixy/pathfinder.py sha256=GqO4HDq5cPIyyt8FylROYN76Qnr0fB_HJ8mB_Vy-4EU 2838
predixy/plotting.py sha256=Rlg_7MREZQ42M2QvPAkt0X1dQgewaE-7Zc4N4t_oFgk 4654
predixy/scan_data.csv sha256=8rLypmlv9iN5Un-4X4mHvIAH08JawsJNojZj6w882zo 48090
predixy/utils.py sha256=Wnnbkd5QGyXlA_FR_VDaHt3VYRVDf3v7xojfMoQBgd4 1202
predixy-1.2.0.dist-info/LICENSE sha256=1m1xQBcO6iGFUYmQ1yQ2DQWzkLqkoyJWP-Ui8f6B0a4 35747
predixy-1.2.0.dist-info/METADATA sha256=aE3FndnQ3_r3Gq4Nnvkb8oPVuvCJULZ-sxz0NCEnAxM 2444
predixy-1.2.0.dist-info/WHEEL sha256=D1Wh14kWDxPnrM-5t_6UCB-UuQNrEODtRa3vF4OsvQY 97
predixy-1.2.0.dist-info/entry_points.txt sha256=tkhghRa7F48Ku26GanOfosMHQ1PQ7fOVIq9MRxxNeiU 42
predixy-1.2.0.dist-info/top_level.txt sha256=NAph4XtqhaquLyC1VO0-FMjhsfPRR54hHw_mb0brtjg 8
predixy-1.2.0.dist-info/RECORD — —

top_level.txt

predixy

entry_points.txt

[console_scripts]
predixy = predixy:main