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QMzyme

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0.9.34 QMzyme-0.9.34-py3-none-any.whl

Wheel Details

Project: QMzyme
Version: 0.9.34
Filename: QMzyme-0.9.34-py3-none-any.whl
Download: [link]
Size: 36890
MD5: cf5a3188678aac2c822d50652049e883
SHA256: 8cf28a5756f1234b8a3e9e5de20e9788c7515f7f8cf16492c11e7dd99d7e4370
Uploaded: 2024-02-14 17:48:06 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: QMzyme
Version: 0.9.34
Summary: QM-based enzyme model generation and validation.
Author-Email: Heidi Klem <heidi.klem[at]nist.gov>
License: MIT
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.0
Requires-Dist: importlib-resources
Requires-Dist: rdkit
Requires-Dist: numpy
Requires-Dist: aqme
Requires-Dist: MDAnalysis; extra == "mda"
Provides-Extra: mda
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 9123 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.42.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
QMzyme/QM_region_analysis.py sha256=WQJe9OFy9iGRRhquA7Jw9b6AbIsVf5GXS86iik-wV_A 106
QMzyme/__init__.py sha256=US3vF5GdsdDwXzpfX9Obk07RMPFBlOXg3EZPN5Hx2vI 154
QMzyme/_version.py sha256=4POet92yzM5uCMmO1mJ5g7Qwu5ldlP-EXUJZNIFOA9w 23
QMzyme/aqme_wrapper.py sha256=BYiwVGwgKoqflGs2FdiJgCHR9OPQ7glo81OUx8gXyUs 2334
QMzyme/generate.py sha256=V0GT7RycKnDwfFLCaCu5brJl2JFjzGoFOorB8OQgwmU 32658
QMzyme/mdanalysis_wrapper.py sha256=Ev2GshM3NMytK8nywocaHnGiWilfy2eCP4wZzg8Zck0 2081
QMzyme/old_generate.py sha256=ld_0mJOuLGyLV58UNxvH8buPd-lSadS70KnOfgQzSEI 34988
QMzyme/protein_parser.py sha256=T8DX_JA5X2bI1tTS_a04nBI_KaOjiHGrGrXb-e2TMxI 6081
QMzyme/py.typed sha256=o_skYYOgBqbwMt-5lUZDunyM7CcemHaJt2k9MsSACeY 61
QMzyme/rdkit_wrapper.py sha256=tiLog9uine72qhgt81o7LqwCXUxSxZj5GsjFoT02vEU 6669
QMzyme/utils.py sha256=NpeSllgBMU5G6upB_xswXb89r_10GiI2etSR642mIcI 20820
QMzyme/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/__init__.py sha256=nRKPWsTbB025bJRfX6ZOZayBVXMs3HMdd_JXUPpjWnA 113
tests/test_QMzyme.py sha256=tihOQ0BLd2VghjofjPCp7uQKsYbFTw-jM9_rZGu19Wg 3707
QMzyme-0.9.34.dist-info/LICENSE sha256=VNp0TpIbLW5vNd4XAvJRhSSdPlNmS1JJEF-LBfe9HjE 1068
QMzyme-0.9.34.dist-info/METADATA sha256=Z2mB3IqHjDVE1kdK592C_pT6mSqEINEGuARRSa6VcKg 9638
QMzyme-0.9.34.dist-info/WHEEL sha256=oiQVh_5PnQM0E3gPdiz09WCNmwiHDMaGer_elqB3coM 92
QMzyme-0.9.34.dist-info/top_level.txt sha256=RdP87N2MS8m1xMY8xgs1wWvOdkp9cMhvZ5v_AhePo2A 13
QMzyme-0.9.34.dist-info/RECORD — —

top_level.txt

QMzyme
tests