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fairchem-applications-cattsunami

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0.1.0 fairchem_applications_cattsunami-0.1.0-py2.py3-none-any.whl

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Project: fairchem-applications-cattsunami
Version: 0.1.0
Filename: fairchem_applications_cattsunami-0.1.0-py2.py3-none-any.whl
Download: [link]
Size: 925069
MD5: ec530fc502416f97af1bfc637fa75e74
SHA256: 4541bd262e8521a222093951f8e333ca7c946822a94b5fdaace4522bad2e2413
Uploaded: 2024-09-14 01:23:33 +0000

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Metadata-Version: 2.3
Name: fairchem-applications-cattsunami
Version: 0.1.0
Summary: Accelerating Transition State Energy Calculations with Pre-trained Graph Neural Networks
Project-Url: repository, http://github.com/Fair-Chem/src/fairchem/applications/cattsunami
Project-Url: documentation, https://fair-chem.github.io/
License: MIT License
Requires-Dist: ase
Requires-Dist: fairchem-core
Requires-Dist: fairchem-data-oc
Requires-Dist: networkx
Requires-Dist: scipy
Requires-Dist: torch (>=2.2)
Description-Content-Type: text/markdown
[Description omitted; length: 5580 characters]

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