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calc utils

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flt6
2026-01-11 11:37:11 +08:00
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commit 5e94b202b5
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calc_utils/pyproject.toml Normal file
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[project]
name = "calc-utils"
version = "0.1.0"
description = "Add your description here"
readme = "README.md"
requires-python = ">=3.12"
dependencies = [
"ase>=3.27.0",
"rdkit>=2025.9.3",
]