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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools"]
build-backend = "setuptools.build_meta"
[project]
name = "deeprank2"
version = "2.1.0"
description = "DeepRank2 is an open-source deep learning framework for data mining of protein-protein interfaces or single-residue missense variants."
readme = "README.md"
requires-python = ">=3.10"
keywords = [
"graph neural network",
"convolutional neural network",
"protein-protein interfaces",
"missense variants",
"deep learning",
"pytorch"]
authors = [
{name = "Giulia Crocioni", email = "[email protected]"},
{name = "Coos Baakman", email = "[email protected]"},
{name = "Dani Bodor", email = "[email protected]"},
{name = "Daniel Rademaker"},
{name = "Gayatri Ramakrishnan"},
{name = "Sven van der Burg"},
{name = "Li Xue"},
{name = "Daniil Lepikhov"},
]
license = {text = "Apache-2.0 license"}
classifiers = [
"Intended Audience :: Developers",
"License :: OSI Approved :: Apache Software License",
"Natural Language :: English",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.10"
]
dependencies = [
"tables >= 3.8.0",
"numpy >= 1.21.5",
"scipy >= 1.11.2",
"h5py >= 3.6.0",
"networkx >= 2.6.3",
"matplotlib >= 3.5.1",
"pdb2sql >= 0.5.1",
"scikit-learn >= 1.0.2",
"chart-studio >= 1.1.0",
"biopython >= 1.81",
"python-louvain >= 0.16",
"markov-clustering >= 0.0.6.dev0",
"tqdm >= 4.63.0",
"freesasa >= 2.1.0",
"tensorboard >= 0.9.0",
"protobuf >= 3.20.1"
]
[project.optional-dependencies]
# development dependency groups
test = [
"pytest >= 7.4.0",
"pylint <= 2.15.3",
"prospector[with_pyroma] <= 1.7.7",
"bump2version",
"coverage",
"pycodestyle",
"pytest-cov",
"pytest-runner",
"coveralls",
]
publishing = [
"build",
"twine",
"wheel",
]
[project.urls]
Documentation = "https://deeprank2.readthedocs.io/en/latest/?badge=latest"
Repository = "https://github.com/DeepRank/deeprank2"
Changelog = "https://github.com/DeepRank/deeprank2/blob/main/CHANGELOG.md"
[tool.coverage.run]
branch = true
source = ["deeprank2"]
[tool.setuptools.packages.find]
include = ["deeprank2*"]
exclude = ["tests*"]