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torchani-step

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2025.3.10 torchani_step-2025.3.10-py2.py3-none-any.whl

Wheel Details

Project: torchani-step
Version: 2025.3.10
Filename: torchani_step-2025.3.10-py2.py3-none-any.whl
Download: [link]
Size: 44571
MD5: c91bbd5da53189ad377799eb161f66e7
SHA256: abb3659518ea0d1090d8169d6eb7d85356f2a9ada5d9ce0b2dc986a9d65b9e88
Uploaded: 2025-03-10 21:36:18 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe

METADATA

Metadata-Version: 2.2
Name: torchani_step
Version: 2025.3.10
Summary: A SEAMM plug-in for TorchANI
Author: Paul Saxe
Author-Email: psaxe[at]molssi.org
Home-Page: https://github.com/molssi-seamm/torchani_step
License: BSD-3-Clause
Keywords: SEAMM,SEAMMplugin,flowchart
Classifier: Environment :: Plugins
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Platform: Windows
Requires-Dist: py-cpuinfo
Requires-Dist: seamm
Requires-Dist: seamm-util
Requires-Dist: seamm-widgets
Requires-Dist: tabulate
Description-Content-Type: text/x-rst
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: keywords
Dynamic: license
Dynamic: platform
Dynamic: requires-dist
Dynamic: summary
License-File: LICENSE
License-File: AUTHORS.rst
[Description omitted; length: 3379 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (76.0.0)
Root-Is-Purelib: true
Tag: py2-none-any
Tag: py3-none-any

RECORD

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torchani_step/__main__.py sha256=Z3MQjN9tIUijyNn9jAVKPrBXRgm4G50CwjVd5q5A_O8 449
torchani_step/_version.py sha256=GT8Q9uF2YVT1ODAapf1_Kgv2gK9xwHz8PN1WsOG3VSw 501
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torchani_step/optimization_parameters.py sha256=oS16eZp0nLgvFUIUkh58YwG-KmZE9lk2WUlSWHY-B_k 5304
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torchani_step/torchani_step.py sha256=4eBc3Li-HsosONaMru8SbpXrvlJNS5j2k5RL_577e2M 3032
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torchani_step-2025.3.10.dist-info/RECORD — —

top_level.txt

torchani_step

entry_points.txt

[console_scripts]
torchani-step-installer = torchani_step.__main__:run
[org.molssi.seamm]
TorchANI = torchani_step:TorchANIStep
[org.molssi.seamm.tk]
TorchANI = torchani_step:TorchANIStep
[org.molssi.seamm.torchani]
Energy = torchani_step:EnergyStep
Optimization = torchani_step:OptimizationStep
[org.molssi.seamm.torchani.tk]
Energy = torchani_step:EnergyStep
Optimization = torchani_step:OptimizationStep

zip-safe