pyproject.toml

[build-system]
requires = ["setuptools", "cython", "cffi", "numpy"]
build-backend = "setuptools.build_meta"

[project]
name = "Allohubpy"
version = "1.0.0"
dependencies = [
"pandas", "seaborn", "matplotlib", "scipy", "cffi", "tqdm", "statsmodels", "networkx", "mdtraj", "fair-esm", "torch", "mini3di"
]
requires-python = ">=3.8"
authors = [
  {name = "Oriol Gracia", email = "o.carmona@ucl.ac.uk"},
  {name = "Jens Kleinjung", email = "jkleinj@gmail.com"}
]
maintainers = [
  {name = "Oriol Gracia", email = "o.carmona@ucl.ac.uk"}
]
description = "Package to analyze allosteric signal from MD simulation using Information Theory"
readme = "README.md"
license = {file = "LICENSE"}
classifiers = [
  "Development Status :: Beta",
  "Programming Language :: Python"
]

[project.urls]
Repository = "https://github.com/Fraternalilab/AlloHubPy.git"
"Bug Tracker" = "https://github.com/Fraternalilab/AlloHubPy/issues"