mindsponge-ascend

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1.0.0rc1 mindsponge_ascend-1.0.0rc1-py3-none-any.whl

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Project: mindsponge-ascend
Version: 1.0.0rc1
Filename: mindsponge_ascend-1.0.0rc1-py3-none-any.whl
Download: [link]
Size: 1740488
MD5: 915555eb00b8b5db31d0d9079cec79af
SHA256: e0eea11bef082394281640493af69741fb3ae43668874f284846be350cb6aa80
Uploaded: 2023-04-24 12:16:30 +0000

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METADATA

Metadata-Version: 2.1
Name: mindsponge-ascend
Version: 1.0.0rc1
Summary: simulation package of next generation molecular modeling in mindspore
Author: The MindSpore Authors
Author-Email: contact[at]mindspore.cn
Home-Page: https://www.mindspore.cn/
Download-Url: https://gitee.com/mindspore/mindscience/tags
Project-Url: Sources, https://gitee.com/mindspore/mindscience
Project-Url: Issue Tracker, https://gitee.com/mindspore/mindscience/issues
License: Apache 2.0
Classifier: License :: OSI Approved :: Apache Software License
Requires-Dist: numpy (>=1.17.0)
Requires-Dist: biopython (>=1.79)
Requires-Dist: pyyaml (>=5.4.1)
Requires-Dist: dataclasses (>=0.6)
Requires-Dist: glob2 (>=0.6)
Requires-Dist: h5py (>=3.6.0)
Requires-Dist: absl-py (>=1.1.0)
[No description]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.34.2)
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top_level.txt

mindsponge