Wheelodex » Projects » chemopy2

chemopy2

View on PyPI — Reverse Dependencies (0)

1.0.5 chemopy2-1.0.5-py3-none-any.whl

Wheel Details

Project: chemopy2
Version: 1.0.5
Filename: chemopy2-1.0.5-py3-none-any.whl
Download: [link]
Size: 87402
MD5: 0ae9202873085e3ad60762c100977097
SHA256: d9d494dc6b190f1c3e536683130f70ee882a5816485de6d03afc088e2630d7a1
Uploaded: 2024-05-10 20:50:15 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: chemopy2
Version: 1.0.5
Summary: "A Python library calculating molecular descriptors."
Author: "Dongsheng Cao, Yizeng Liang"
Author-Email: "oriental-cds[at]163.com"
Maintainer: "Olivier J. M. Béquignon"
Maintainer-Email: "olivier.bequignon.maintainer[at]gmail.com"
Home-Page: https://github.com/OlivierBeq/chemopy
Download-Url: https://github.com/OlivierBeq/chemopy/releases
Project-Url: Bug Tracker, https://github.com/OlivierBeq/chemopy/issues
Project-Url: Source Code, https://github.com/OlivierBeq/chemopy
License: GNU General Public License v3
Keywords: chemopy,cheminformatics,molecular descriptors,molecular fingerprints,QSAR,snekpack,cookiecutter
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Framework :: Pytest
Classifier: Framework :: tox
Classifier: Framework :: Sphinx
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3 :: Only
Requires-Dist: more-itertools
Requires-Dist: natsort
Requires-Dist: numpy
Requires-Dist: rdkit
Requires-Dist: mhfp
Requires-Dist: map4-ojmb (==1.0)
Requires-Dist: bounded-pool-executor
Requires-Dist: e3fp
Requires-Dist: sphinx (<7); extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
Requires-Dist: sphinx-automodapi; extra == "docs"
Requires-Dist: pytest; extra == "tests"
Requires-Dist: coverage; extra == "tests"
Provides-Extra: docs
Provides-Extra: tests
License-File: LICENSE
[No description]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
chemopy/__init__.py sha256=rr-K4XaNYZxr6jRd2kW6VzZpgqw67NsPvkGaDMla_qI 307
chemopy/asa.py sha256=GXpTAJbiRTUx1w0FDvlxdXbQvMLgiVLbgOlnqBbvQaM 3735
chemopy/atomproperty.py sha256=E-iefSTTONWKyUXmjyP1Pfb9u1Ba8cxsRToKNl-KKTU 9305
chemopy/atomtypes.py sha256=5DSDTBoSPxFIc3VetoPBTNANMMjjEzzvResCDu9JmJM 4990
chemopy/basak.py sha256=57xBW-T0qwy7nmS724eblnOOJQkhDx7k7Yk-1KS3Yw8 10698
chemopy/bcut.py sha256=lPD4Q5Dm-po_asNewPfzK4TUaZTYVwAh9c_DzGmew4U 6041
chemopy/charge.py sha256=pNfFqhbJ8hag3-eDiXCSX-iUZ7T7t3uirh8CiZI7KEE 12504
chemopy/chemopy.py sha256=MPaCXCph7dvvyGB1z4P9CTwO5sLRRUCuljTgT3Dl4co 8423
chemopy/connectivity.py sha256=8wiAmcZKVcjvYQBjTCvLJZ-cU-ruD84bcNenet1URS0 18836
chemopy/constitution.py sha256=G2U2hW_XcMr8FCcpI9WfoIcTyXlCF_EyIy3um7TsZAU 9636
chemopy/cpsa.py sha256=sZ26rpPjdBlqUO_K0dfJDplshbEifiLZ11E16RhgbqA 11349
chemopy/descs.json sha256=0qh8fvrNwFQFCjETJkRHHSwy4DcFTfszDxfOcHbrIWI 248861
chemopy/estate.py sha256=l9v4zJnPX3RGM59m5LMhtMVIlWGoMhZdRimXzH_kuWc 8776
chemopy/fingerprint.py sha256=e7Zv72QSyr_dgcnmqhhdYgOBNXc9sTOe74WSZ_EItTk 7676
chemopy/fingerprint3d.py sha256=gZw80sheCCRrjCvv4bjk4lYrjQpAcLf690wOo7EO9wQ 3538
chemopy/geary.py sha256=W3VU165Volc3HImHx4izzxjHp2yX6LlB9RIHMcxZ00o 3836
chemopy/geo_opt.py sha256=jgTpQH-MufY0sYWI93qK_qr00WvrlHgM1te7_0JPgog 17084
chemopy/geometric.py sha256=ZhK7XEoTnFrLQSHw8pfJR-lE3fJTR9FuWqJvrz5Qpy0 18660
chemopy/getmol.py sha256=N38sH1ZPcdOX_M2g25xSxQsW3mwmjqi1FukMu-DtW4I 3914
chemopy/kappa.py sha256=GBgdtgfwMBEjxDlwCf_ruHXnvUZitlKn3aP5J20gc60 5320
chemopy/moe.py sha256=B3bRIG4eUcsax_heYGop-qcfa_BqeyiyVZxWV13KsA8 4152
chemopy/molproperty.py sha256=xFOwVtIx-ZWf7PNmxon2IRX10fKlFMW3923AnlvCgAs 3930
chemopy/moran.py sha256=UgK5kqUmCGFRhbFoliKoA2QL8maTjej_BYtqx6MU5Ac 3615
chemopy/moreaubroto.py sha256=qPd7nSuq-25baWZXyvdddVV1NTye6WPftU4PQIjb_tk 3317
chemopy/morse.py sha256=IVYK8fA_GJOxR2RpSnEONYFdqvgG6TDCxhe-VQXt4mE 10626
chemopy/quanchem.py sha256=aMic48wMylARawFBrWGUzSBcHQOgAncZnKYi6nQbBbI 7203
chemopy/radius.py sha256=fcJD36aFZQpOfAR2sL-DSBoIl-1W71bbKNzVm1WWwrQ 469
chemopy/rdf.py sha256=qH436Z2s45nFH_vEOi2G7oMrcqPdObOyL_0u8zrqeFo 7992
chemopy/topology.py sha256=WVJQkN1WtjqnqrWGzfvrgzkcpk9n3z-ysc5K4HOO4Qo 19791
chemopy/utils.py sha256=ZaTgONzTznspwPdBYFRZetH5HPejD0_3FILulvduKUc 8477
chemopy/vector3d.py sha256=yb_1cY1jv5SHBcwsj517f2JQsED86qrhvXjQTJ3F8C4 13776
chemopy/whim.py sha256=kH6rJ6gGPQYWbv5MqrBoHB5wMxE9kXPp1zOftaolbSo 19997
chemopy2-1.0.5.dist-info/LICENSE sha256=gcuuhKKc5-dwvyvHsXjlC9oM6N5gZ6umYbC8ewW1Yvg 35821
chemopy2-1.0.5.dist-info/METADATA sha256=oWZnf9XOzEI35Q42VBPJhXuHDCObiHczytlNk_4_7-0 1983
chemopy2-1.0.5.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
chemopy2-1.0.5.dist-info/top_level.txt sha256=mI4Ks5rnwyMQ22pEFX-o2svypTYdtjEqJPC7rKkjxQo 8
chemopy2-1.0.5.dist-info/RECORD — —

top_level.txt

chemopy