| [build-system] |
| requires = ["setuptools>=61.0", "wheel"] |
| build-backend = "setuptools.build_meta" |
|
|
| [project] |
| name = "sf_cluster" |
| version = "0.1.0" |
| description = "Frustration-guided MSA subset builders for AlphaFold2 multi-conformer prediction (mosaic + gradient arms)." |
| readme = "README.md" |
| license = {file = "LICENSE"} |
| requires-python = ">=3.10" |
| authors = [ |
| {name = "Hanqun Cao", email = "hanquncao@gmail.com"}, |
| ] |
| keywords = ["alphafold", "msa", "frustration", "protein", "fold-switch", "subsampling"] |
| classifiers = [ |
| "License :: OSI Approved :: MIT License", |
| "Programming Language :: Python :: 3", |
| "Programming Language :: Python :: 3.10", |
| "Programming Language :: Python :: 3.11", |
| "Programming Language :: Python :: 3.12", |
| "Topic :: Scientific/Engineering :: Bio-Informatics", |
| ] |
| dependencies = [ |
| "numpy>=1.23", |
| "scipy>=1.10", |
| ] |
|
|
| [project.optional-dependencies] |
| dev = ["pytest>=7.0"] |
|
|
| [project.scripts] |
| sf-cluster = "sf_cluster.cli:main" |
|
|
| [project.urls] |
| Homepage = "https://github.com/hanqun-cao/sf-cluster" |
| Issues = "https://github.com/hanqun-cao/sf-cluster/issues" |
|
|
| [tool.setuptools.packages.find] |
| where = ["src"] |
|
|
| [tool.setuptools.package-dir] |
| "" = "src" |
|
|
