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pyproject.toml
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[tool.poetry]
name = "aiondata"
version = "0.5.1"
description = "A common data access layer for AI-driven drug discovery."
authors = ["JJ Ben-Joseph <[email protected]>"]
license = "Apache"
readme = "README.md"
homepage = "https://www.github.com/aion-labs/aiondata"
classifiers = [
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3 :: Only",
"License :: OSI Approved :: Apache Software License",
"Operating System :: OS Independent",
"Intended Audience :: Developers",
"Intended Audience :: Science/Research",
"Topic :: Scientific/Engineering",
"Topic :: Scientific/Engineering :: Artificial Intelligence",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Information Analysis",
"Topic :: Scientific/Engineering :: Medical Science Apps.",
"Development Status :: 3 - Alpha",
]
[tool.poetry.dependencies]
python = ">=3.10"
polars = {version = ">=0.20.30", python = ">=3.10"}
rdkit = "*"
tqdm = "*"
xlsx2csv = "*"
scipy = "*"
biopython = "*"
pypdb = "*"
numpy = [
{version = "^1.26.0", python = "^3.12"},
{version = "^1.25.2", python = "^3.11"},
{version = "^1.25.2", python = "^3.10"}
]
[tool.poetry.group.dev.dependencies]
ipykernel = "*"
iprogress = "*"
ipywidgets = "*"
scikit-learn = "*"
[build-system]
requires = ["poetry-core>=1.0.0"]
build-backend = "poetry.core.masonry.api"
[tool.poetry.dev-dependencies]
pytest = "^8.0.1"