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1.2.2 massspecgym-1.2.2-py3-none-any.whl

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Project: massspecgym
Version: 1.2.2
Filename: massspecgym-1.2.2-py3-none-any.whl
Download: [link]
Size: 93854
MD5: cda303c41758136dd28262bf04988ed9
SHA256: 3d2e681dd22d8edb313837d5e00056dde4f6612602a3925cfb2c48d8078c914d
Uploaded: 2025-02-15 19:09:20 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.2
Name: massspecgym
Version: 1.2.2
Summary: MassSpecGym: A benchmark for the discovery and identification of molecules
Author: MassSpecGym developers
Author-Email: roman.bushuiev[at]uochb.cas.cz
License: MIT
Classifier: Programming Language :: Python :: 3.11
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.11
Requires-Dist: torch (==2.3.0)
Requires-Dist: pytorch-lightning (==2.2.5)
Requires-Dist: torchmetrics (==1.4.0)
Requires-Dist: torch_geometric (==2.5.3)
Requires-Dist: tokenizers (==0.19.1)
Requires-Dist: numpy (==1.24.4)
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Requires-Dist: myopic-mces (==1.0.0)
Requires-Dist: matchms (==0.26.2)
Requires-Dist: wandb (==0.17.0)
Requires-Dist: huggingface-hub (==0.23.2)
Requires-Dist: seaborn (==0.13.2)
Requires-Dist: chemparse (==0.3.1)
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Requires-Dist: networkx (==3.3)
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Requires-Dist: scikit-learn (==1.5.0); extra == "notebooks"
Requires-Dist: pandarallel (==1.6.5); extra == "notebooks"
Provides-Extra: dev
Provides-Extra: notebooks
Description-Content-Type: text/markdown
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: license
Dynamic: provides-extra
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary
License-File: LICENCE
[Description omitted; length: 11587 characters]

WHEEL

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Tag: py3-none-any

RECORD

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massspecgym-1.2.2.dist-info/RECORD — —

top_level.txt

massspecgym