pyproject.toml

[project]
name = "predictability"
description = """Small project containing model definitions and utilities for
reproducing the results of the paper "Enzyme structure correlates with variant effect predictability" """
readme = "README.md"
requires-python = ">=3.8"
version = "0.1.0"
authors = [
    {name = "Floris van der Flier", email = "floris.vanderflier@wur.nl"},
    {name="Henning Redestig", email = "henning.redestig@iff.com"}
]
dependencies = [
    "biopandas",
    "biopython",
    "biotite",
    "jupyter",
    "loguru",
    "matplotlib",
    "nglview",
    "numpy",
    "pandas",
    "plotnine",
    "prody",
    "ruff",
    "scikit-learn",
    "scipy",
    "torch",
    "tqdm",
    "transformers",
]

[tool.setuptools.packages.find]
where = ["src"]

[tool.ruff.lint]
select=["I"]

[build-system]
requires = [
  "setuptools>=42",
  "wheel"
]
build-backend = "setuptools.build_meta"