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0.2.2 simgen-0.2.2-py3-none-any.whl

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Project: simgen
Version: 0.2.2
Filename: simgen-0.2.2-py3-none-any.whl
Download: [link]
Size: 116608
MD5: 6f03390de3b71aaf7cf0c826fd9baaa9
SHA256: 01396b51cb81ef06c5842e515ce8030a5c94d7e67296e5512748bc4753b897a6
Uploaded: 2024-12-13 17:14:45 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: simgen
Version: 0.2.2
Author-Email: Rokas Elijošius <re344[at]cam.ac.uk>
License: MIT License Copyright (c) 2023 RokasEl Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Requires-Python: >=3.10
Requires-Dist: ase (>=3.23)
Requires-Dist: einops (>=0.6.1)
Requires-Dist: fire (>=0.5.0)
Requires-Dist: frozendict (>=2.3.7)
Requires-Dist: typer (>=0.13)
Requires-Dist: decorator
Requires-Dist: mace-models (>=0.1.2)
Requires-Dist: mace-torch (>=0.3.9)
Requires-Dist: hydromace (>=0.2)
Requires-Dist: znframe
Requires-Dist: zndraw (>=0.5.7)
Requires-Dist: rdkit (>=2023.9.4); extra == "all"
Provides-Extra: all
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3903 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (75.6.0)
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Tag: py3-none-any

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simgen-0.2.2.dist-info/RECORD — —

top_level.txt

airss_baseline
energy_model
simgen
simgen_zndraw

entry_points.txt

[console_scripts]
simgen = simgen_zndraw.cli:cli_app