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0.1.4 molbox-0.1.4-py3-none-any.whl

Wheel Details

Project: molbox
Version: 0.1.4
Filename: molbox-0.1.4-py3-none-any.whl
Download: [link]
Size: 4848
MD5: 2ceaf12e586de9c8a7ced75266b5a33b
SHA256: d95f4211b703abe07e65d22a5e35f0482be91979fe25cb158a72842c599edaad
Uploaded: 2024-07-16 08:53:44 +0000

dist-info

METADATA · WHEEL · RECORD

METADATA

Metadata-Version: 2.1
Name: molbox
Version: 0.1.4
Summary: Create simulation boxes for LAMMPS.
Author: Niklas Kappel
Author-Email: niklas.kappel[at]kit.edu
Project-Url: repository, https://github.com/NiklasKappel/molbox
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9,<4.0
Requires-Dist: openbabel-wheel (<4.0.0.0,>=3.1.1.19)
Requires-Dist: rdkit (<2024.0.0,>=2023.9.5)
Requires-Dist: scipy (<2.0.0,>=1.13.0)
Description-Content-Type: text/markdown
[Description omitted; length: 1134 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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molbox/box.py sha256=iwuwgQ8izeHFXyjEEi2BmfGdEYQSI1C-40UVYB-rhsA 210
molbox/lammps_data.py sha256=On4zQRSJeT66KbFuI9ooQIdjlsN2xOQjFFU2wzhyVQ4 969
molbox/molbox.py sha256=S_ni-OvKLle8yIqH78REMiYoaV3GdUnkvMYz9PFHD-w 1114
molbox/rdkit_3d_ops.py sha256=czwwb-eIiFa1Zc_Eo68irTsERGgHR4un___lUZLOVuM 2581
molbox-0.1.4.dist-info/LICENSE sha256=Vxvm_kaJLPuxZlDl7T2y3cp4fiUVsiKNYnxk5E35zLs 1070
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molbox-0.1.4.dist-info/RECORD — —