ms2mol-evaluation/pyproject.toml at main · commons-research/ms2mol-evaluation · GitHub

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[project]
name = "ms2mol-evaluation"
version = "0.1.0"
description = "Add your description here"
readme = "README.md"
authors = [
    { name = "Marco Visani", email = "[email protected]" },
]
requires-python = ">=3.12"
dependencies = [
    "cache-decorator>=2.2.0",
    "downloaders>=1.0.22",
    "fiora",
    "ipywidgets>=8.1.7",
    "matchms>=0.31",
    "matplotlib>=3.10.3",
    "matplotlib-venn>=1.1.2",
    "ms-entropy>=1.4.0",
    "ms2deepscore>=2.6.0",
    "numba>=0.61.2",
    "pandarallel>=1.6.5",
    "pandas>=2.3.0",
    "polars>=1.31.0",
    "psycopg>=3.2.10",
    "pyarrow>=20.0.0",
    "pymongo>=4.13.2",
    "python-dotenv>=1.1.1",
    "rdkit>=2024.9.5",
    "scikit-fingerprints>=1.16.0",
    "seaborn>=0.13.2",
    "tabulate>=0.9.0",
]


[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[dependency-groups]
dev = ["ipykernel>=6.29.5", "jupyterlab>=4.4.3", "ruff>=0.13.1"]

[tool.uv.sources]
fiora = { git = "https://github.com/BAMeScience/fiora" }