pyproject.toml

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

[project]
name = "salad"
version = "0.1.0"
description = "Protein structure generation with denoising models."
readme = "README.md"
license = { file = "LICENSE" }
requires-python = ">=3.9"
keywords = ["protein", "machine learning", "jax", "diffusion models"]
authors = [{ name = "Michael A. Jendrusch", email = "michael.jendrusch@embl.de" }]
maintainers = [{ name = "Michael A. Jendrusch", email = "michael.jendrusch@embl.de" }]

classifiers = [

]

dependencies = [
    "torch>=2.0",
    "alphafold @ git+https://github.com/google-deepmind/alphafold.git@v2.3.1",
    "jax[cuda12]",
    "dm-haiku @ git+https://github.com/deepmind/dm-haiku",
    "numpy",
    "flexloop @ git+https://github.com/mjendrusch/flexloop.git",
    "gemmi"
]

[project.urls]
"Homepage" = "https://github.com/mjendrusch/salad"
"Bug reportes" = "https://github.com/mjendrusch/salad/issues"
"Source" = "https://github.com/mjendrusch/salad/"