mirror of
https://github.com/KosinskiLab/AlphaPulldown.git
synced 2026-06-04 14:14:24 +08:00
101 lines
3.1 KiB
TOML
101 lines
3.1 KiB
TOML
[build-system]
|
|
requires = ["setuptools", "wheel"]
|
|
build-backend = "setuptools.build_meta"
|
|
|
|
[project]
|
|
name = "alphapulldown"
|
|
description = "Pipeline allows massive screening using AlphaFold"
|
|
readme = { file = "README.md", content-type = "text/markdown" }
|
|
requires-python = ">=3.8"
|
|
authors = [
|
|
{ name = "EMBL Hamburg", email = "alphapulldown@embl-hamburg.de" }
|
|
]
|
|
urls = { "Homepage" = "https://github.com/KosinskiLab/AlphaPulldown" }
|
|
classifiers = [
|
|
'Topic :: Scientific/Engineering :: Artificial Intelligence',
|
|
'Intended Audience :: Science/Research',
|
|
'License :: OSI Approved :: Apache Software License',
|
|
'Operating System :: POSIX :: Linux',
|
|
'Programming Language :: Python :: 3.8',
|
|
'Programming Language :: Python :: 3.9',
|
|
'Programming Language :: Python :: 3.10',
|
|
'Programming Language :: Python :: 3.11',
|
|
]
|
|
dependencies = [
|
|
"absl-py >= 0.13.0",
|
|
"dm-haiku",
|
|
"dm-tree >= 0.1.6",
|
|
"h5py >= 3.1.0",
|
|
"matplotlib >= 3.3.3",
|
|
"ml-collections >= 0.1.0",
|
|
"pandas >= 1.5.3",
|
|
"importlib-resources >= 6.1.0",
|
|
"biopython >= 1.82",
|
|
"nbformat >= 5.9.2",
|
|
"py3Dmol == 2.0.4",
|
|
"ipython == 8.16.1",
|
|
"tqdm >= 4.66.1",
|
|
"appdirs >= 1.4.4",
|
|
"ml-dtypes",
|
|
"setuptools >= 40.1.0",
|
|
"jupyterlab >= 3.0",
|
|
"ipywidgets",
|
|
"pytest >= 6.0",
|
|
"importlib-metadata >= 4.8.2, <5.0.0",
|
|
"tensorflow-cpu >= 2.16.1",
|
|
"chex >= 0.1.86",
|
|
"immutabledict >= 2.0.0"
|
|
]
|
|
dynamic = ["version"]
|
|
|
|
[tool.setuptools]
|
|
include-package-data = true
|
|
|
|
[tool.setuptools.package-dir]
|
|
alphafold = "alphafold/alphafold"
|
|
|
|
[tool.setuptools.packages.find]
|
|
where = ["."]
|
|
include = [
|
|
"alphapulldown",
|
|
"alphapulldown.utils",
|
|
"alphapulldown.folding_backend",
|
|
"alphapulldown.analysis_pipeline",
|
|
"alphapulldown.scripts",
|
|
"alphafold",
|
|
"alphafold.data",
|
|
"alphafold.data.tools",
|
|
"alphafold.common",
|
|
"alphafold.relax",
|
|
"alphafold.model",
|
|
"alphafold.model.geometry",
|
|
"alphafold.model.tf",
|
|
"alphafold.notebooks",
|
|
"colabfold",
|
|
"analysis_pipeline",
|
|
"af2plots",
|
|
"unifold",
|
|
"unifold.data",
|
|
"unifold.modules",
|
|
"unifold.msa",
|
|
"unifold.losses",
|
|
"unifold.symmetry"
|
|
]
|
|
|
|
[tool.setuptools.package-data]
|
|
"alphafold.alphafold.common" = ["stereo_chemical_props.txt"]
|
|
|
|
[tool.setuptools.dynamic]
|
|
version = { attr = "alphapulldown.__version__" }
|
|
|
|
[project.scripts]
|
|
"create_individual_features.py" = "alphapulldown.entry_points:create_individual_features"
|
|
"run_multimer_jobs.py" = "alphapulldown.entry_points:run_multimer_jobs"
|
|
"run_structure_prediction.py" = "alphapulldown.entry_points:run_structure_prediction"
|
|
"rename_colab_search_a3m.py" = "alphapulldown.scripts.rename_colab_search_a3m:main"
|
|
"prepare_seq_names.py" = "alphapulldown.scripts.prepare_seq_names:main"
|
|
"generate_crosslink_pickle.py" = "alphapulldown.scripts.generate_crosslink_pickle:main"
|
|
"convert_to_modelcif.py" = "alphapulldown.entry_points:convert_to_modelcif"
|
|
"create_notebook.py" = "alphapulldown.entry_points:create_notebook"
|
|
"get_good_interpae.py" = "alphapulldown.scripts.get_good_interpae:main"
|
|
"truncate_pickle.py" = "alphapulldown.scripts.truncate_pickle:main" |