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e3fp

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1.2.7 e3fp-1.2.7-py3-none-any.whl

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Project: e3fp
Version: 1.2.7
Filename: e3fp-1.2.7-py3-none-any.whl
Download: [link]
Size: 66848
MD5: ec539f220e00bb195fcff9958b797bfc
SHA256: fa587755dc70b564b65ca5661cb567823ee4d547e418e5289e3b4de8723ac054
Uploaded: 2025-02-04 10:19:35 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.3
Name: e3fp
Version: 1.2.7
Summary: Molecular 3D fingerprinting
Author-Email: Seth Axen <seth.axen[at]gmail.com>
Project-Url: Download, https://github.com/keiserlab/e3fp/tarball/{version}
Project-Url: Homepage, https://github.com/keiserlab/e3fp
Keywords: e3fp,3d,molecule,fingerprint,conformer
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Operating System :: OS Independent
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.9, <3.14
Requires-Dist: mmh3 (>=2.3.1)
Requires-Dist: numpy (>=1.11.3)
Requires-Dist: rdkit (>=2016.03.4)
Requires-Dist: scipy (>=0.18.0)
Requires-Dist: sdaxen_python_utilities (>=0.1.5)
Requires-Dist: smart_open (>=1.8.3)
Requires-Dist: e3fp[docs]; extra == "dev"
Requires-Dist: e3fp[test]; extra == "dev"
Requires-Dist: sphinx; extra == "docs"
Requires-Dist: sphinxcontrib-programoutput; extra == "docs"
Requires-Dist: sphinx-rtd-theme; extra == "docs"
Requires-Dist: h5py; extra == "optional"
Requires-Dist: mpi4py; extra == "optional"
Requires-Dist: numba; extra == "optional"
Requires-Dist: six; extra == "optional"
Requires-Dist: standardiser; extra == "optional"
Requires-Dist: mock; extra == "test"
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: e3fp[optional]; extra == "test"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: optional
Provides-Extra: test
Description-Content-Type: text/x-rst
[Description omitted; length: 3021 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.10.1
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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e3fp-1.2.7.dist-info/RECORD — —

entry_points.txt

[console_scripts]
e3fp-conformer = e3fp.conformer.generate:main
e3fp-fingerprint = e3fp.fingerprint.generate:main