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[build-system]
requires = ["setuptools>=61", "wheel"]
build-backend = "setuptools.build_meta"
[project]
name = "polyreact"
version = "0.1.0"
description = "Reliable polyreactivity prediction pipeline for antibodies"
readme = "README.md"
requires-python = ">=3.10"
authors = [{ name = "Polyreact Team" }]
license = { file = "LICENSE" }
dependencies = [
"torch==2.2.2",
"transformers==4.40.1",
"tokenizers==0.19.1",
"scikit-learn==1.4.2",
"pandas==2.2.2",
"numpy==1.26.4",
"scipy==1.13.0",
"biopython==1.83",
"anarcii==2.0.2",
"huggingface_hub==0.22.2",
"matplotlib==3.8.4",
"tqdm==4.66.2",
"pyyaml==6.0.1",
"joblib==1.3.2",
"statsmodels==0.14.2",
"gradio==4.21.0",
"openpyxl==3.1.5",
"importlib-resources==6.4.5"
]
[project.optional-dependencies]
dev = [
"black==24.4.2",
"ruff==0.4.1",
"mypy==1.9.0",
"pytest==8.1.1"
]
[project.scripts]
polyreact-predict = "polyreact.predict:main"
polyreact-train = "polyreact.train:main"
[tool.setuptools.packages.find]
include = ["polyreact*"]
where = ["."]
[tool.setuptools.package-data]
"polyreact" = ["configs/*.yaml"]
[tool.black]
line-length = 88
[tool.ruff]
line-length = 88
[tool.ruff.lint]
select = ["E", "F", "I", "UP", "N"]
[tool.mypy]
python_version = "3.11"
ignore_missing_imports = true
warn_unused_ignores = true
warn_return_any = true
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