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Project: pyNNsMD
Version: 2.0.0
Filename: pyNNsMD-2.0.0-py3-none-any.whl
Download: [link]
Size: 73737
MD5: 4f44554151ea8fc8289b6710baeba3a4
SHA256: 9763c0caac7e6ad55ba3a616ac566b13e3e6b9a8adb1e06eecd77737a2644a97
Uploaded: 2022-04-12 15:11:58 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: pyNNsMD
Version: 2.0.0
Summary: Neural Network for learning potential energy surface for molecular dynamics.
Author: Patrick Reiser
Author-Email: patrick.reiser[at]kit.edu
Keywords: materials,science,machine,learning,deep,dynamics,molecular,potential
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Dist: numpy
Requires-Dist: scikit-learn
Requires-Dist: matplotlib
Requires-Dist: kgcnn
Requires-Dist: tensorflow (>=2.3.0); extra == "tf"
Requires-Dist: tensorflow-gpu (>=2.3.0); extra == "tf_gpu"
Provides-Extra: tf
Provides-Extra: tf_gpu
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 6116 characters]

WHEEL

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pyNNsMD-2.0.0.dist-info/RECORD — —

top_level.txt

pyNNsMD