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setup.cfg
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[metadata]
name = gt4sd-molformer
version = attr: gt4sd_molformer.__version__
description = Molformer's submodule of GT4SD.
author= GT4SD team
long_description_content_type=text/markdown
long_description = file: README.md
python_requires = >= 3.7.*
classifiers =
Operating System :: OS Independent
Programming Language :: Python :: 3
Programming Language :: Python :: 3.7
Programming Language :: Python :: 3.8
[options]
install_requires =
datasets>=1.11.0
debugpy>=1.6.6
importlib-resources>=5.10.0
pandas>=1.3.5
torch>=1.0,<=1.12.1
pytorch_lightning<=1.7.7
pytorch-fast-transformers>=0.4.0
rdkit-pypi>=2020.9.5.2,<=2021.9.4
scikit-learn>=1.0.0
transformers<4.26.0
wheel>=0.26
setup_requires =
setuptools
package_dir =
= src
packages=find_namespace:
include_package_data = False # would break package_data
[options.package_data]
gt4sd_molformer =
py.typed
finetune/bert_vocab.txt
training/bert_vocab.txt
training/pubchem_canon_zinc_final_vocab_sorted.pth
[options.packages.find]
where = src
[flake8]
max-line-length = 80
select = C,E,F,W,B,B950
ignore = E203, E501, W503
[mypy]
check_untyped_defs = True
[mypy-pytest.*]
ignore_missing_imports = True
[mypy-rdkit.*]
ignore_missing_imports = True
[mypy-setuptools.*]
ignore_missing_imports = True
[mypy-numpy.*]
ignore_missing_imports = True
[mypy-pandas.*]
ignore_missing_imports = True
[mypy-pyarrow.*]
ignore_missing_imports = True
[mypy-pkg_resources.*]
ignore_missing_imports = True
[mypy-debugpy.*]
ignore_missing_imports = True
[mypy-regex.*]
ignore_missing_imports = True
[mypy-transformers.*]
ignore_missing_imports = True
[mypy-tokenizer.*]
ignore_missing_imports = True
[mypy-scipy.*]
ignore_missing_imports = True
[mypy-apex.*]
ignore_missing_imports = True
[mypy-fast_transformers.*]
ignore_missing_imports = True
# to avoid mypy from crashing (https://github.com/python/mypy/issues/11045)
[mypy-transformers.trainer]
check_untyped_defs = False
[mypy-torch.*]
ignore_missing_imports = True
[mypy-sklearn.*]
ignore_missing_imports = True
[mypy-sentencepiece.*]
ignore_missing_imports = True
[mypy-importlib_resources.*]
ignore_missing_imports = True
[mypy-pytorch_lightning.*]
ignore_missing_imports = True
[mypy-datasets.*]
ignore_missing_imports = True