ProtienFlex/pyproject.toml at main · VishwamAI/ProtienFlex · GitHub

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[build-system]
requires = ["setuptools>=61.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "proteinflex"
version = "1.0.0"
description = "AI-driven protein development and analysis toolkit"
authors = [
    {name = "VishwamAI", email = "contact@vishwamai.com"}
]
readme = "README.md"
requires-python = ">=3.10,<3.11"
license = {text = "MIT"}
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3.10",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
]

dependencies = [
    "torch>=2.0.0",
    "numpy>=1.21.0",
    "scipy>=1.10.0",
    "pandas>=2.0.0",
    "scikit-learn>=1.2.0",
    "biopython>=1.79",
    "mdtraj>=1.9.7",
    "prody>=2.4.0",
    "requests>=2.31.0",
    "tqdm>=4.66.0",
    "matplotlib>=3.8.0",
    "seaborn>=0.13.0",
    "pytest>=8.0.0",
    "pytest-cov>=4.1.0",
    "jax>=0.4.20",
    "jaxlib>=0.4.20",
    "dm-haiku>=0.0.10",
    "tensorflow>=2.15.0",
    "openmm>=8.1.1",
]

[project.optional-dependencies]
dev = [
    "black",
    "flake8",
    "isort",
    "mypy",
    "pytest",
    "pytest-cov",
]
docs = [
    "sphinx",
    "sphinx-rtd-theme",
    "myst-parser",
]

[project.urls]
Homepage = "https://github.com/VishwamAI/ProtienFlex"
Repository = "https://github.com/VishwamAI/ProtienFlex.git"
Documentation = "https://proteinflex.readthedocs.io"

[tool.black]
line-length = 88
target-version = ["py310"]

[tool.isort]
profile = "black"
multi_line_output = 3

[tool.pytest.ini_options]
minversion = "6.0"
addopts = "-ra -q --cov=proteinflex"
testpaths = ["tests"]