PocketDruggability/pyproject.toml at main · gandrianov/PocketDruggability · GitHub

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

[project]
name = "PocketDruggability"
version = "0.98.1"
authors = [
  { name="Grigorii Andrianov", email="grigorii.andrianov@gmail.com" },
  { name="Shipra Malhotra", email="drshipramalhotra@gmail.com" },
  { name="John Karanicolas", email="John.Karanicolas@fccc.edu" }
]

description = "A package for calculating maximum achievable potency of a protein surface"
readme = "README.md"
requires-python = ">=3.7"
classifiers = [
    "Programming Language :: Python :: 3",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
]

dependencies = [
  "biopandas",
  "freesasa",
  "numpy",
  "pandas",
  "scipy",
  "scikit-learn"
]

[tool.setuptools.package-data]
PocketDruggability = ["configs/*.config", "models/*.json"]

[project.urls]
"Homepage" = "https://github.com/gandrianov/PocketDruggability"
"Bug Tracker" = "https://github.com/gandrianov/PocketDruggability/issues"

[project.scripts]
"featurize_pocket" = "PocketDruggability.cmds:cmd_featurize_pocket"