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tools/calc_utils/pyproject.toml
2026-01-11 11:37:11 +08:00

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TOML

[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",
]