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0.5.0 epic_mace-0.5.0-py3-none-any.whl

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Project: epic-mace
Version: 0.5.0
Filename: epic_mace-0.5.0-py3-none-any.whl
Download: [link]
Size: 48170
MD5: 46c009519c934806565b4aecc3c7bfed
SHA256: e632dcc7bde4b9ec7d5b8cfde53a2f62864fa97abac91929435c2cf30220372c
Uploaded: 2023-03-03 03:51:29 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: epic-mace
Version: 0.5.0
Summary: Python library and command-line tool for generation of 3D coordinates for complexes of d-/f-elements
Author: Ivan Yu. Chernyshov
Author-Email: ivan.chernyshoff[at]gmail.com
Home-Page: http://github.com/EPiCs-group/mace
License: GPLv3+
Keywords: stereomers 3D embedding geometry complex
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.7
Requires-Dist: numpy
Requires-Dist: pyyaml
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3529 characters]

WHEEL

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

RECORD

Path Digest Size
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mace/__main__.py sha256=NCRBjVd9hMy3RIs8uY8tCTEeZeMITDYo5nvxgFg_eBw 19542
mace/_cli_quickstart.py sha256=lHrUeJbBDQm916Q_A6gZPRPGCDgfeRPsj2NIkygJmxM 3020
mace/_complex_init_files.py sha256=AwgPzAs7KD7qsPqiGZmfDh0MQ2WlAwr6MmoJnT8eWgc 9782
mace/_complex_init_mols.py sha256=rn6U_ocXpiGf22n6FnrYd0j5MEQx1gsM1SHSOko2wAw 4935
mace/_complex_object.py sha256=uG-rieDRiwyLIZX3j-mKl_zHQa77qDnVEDRlDTp3ruk 59811
mace/_parameters.py sha256=hBxAVkYn1DxG-B9_InJc-rI465xDW6r_Q16pOtvfPcE 8401
mace/_smiles_parsing.py sha256=lvdBe_F9ZBXaO8Mn5BLjFxMjBDL7z2zYtQnbnxm1by8 8294
mace/_substituents.py sha256=jrzTOTB9M5TRZCTKGSGtsRecK9U8BEfr2fuDy2jsqmk 5336
mace/_supporting_functions.py sha256=stPqDDrWfyqdUp4Zcxkk6e1ESe7Qix7VpvYkdqNOuoA 1343
epic_mace-0.5.0.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
epic_mace-0.5.0.dist-info/METADATA sha256=5BBs6qhvecXLqHHqa4oWDv6-6C6Lk4jUrmBsNNqyCQU 4332
epic_mace-0.5.0.dist-info/WHEEL sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo 92
epic_mace-0.5.0.dist-info/entry_points.txt sha256=cWS5KZdKoeqSkhahhMnAz0yG9d8DYK-beoYnlfhxi3c 98
epic_mace-0.5.0.dist-info/top_level.txt sha256=hvtU6ykCig58UlTIG6mfsuY4m5QiWZbA2821HKvlIzU 5
epic_mace-0.5.0.dist-info/RECORD — —

top_level.txt

mace

entry_points.txt

[console_scripts]
epic-mace = mace.__main__:main
epic-mace-quickstart = mace._cli_quickstart:main