content: [tool.poetry]
  name = "chemtsv2"
  version = "2.2.0-dev"
  description = "ChemTSv2 is a flexible and versatile molecule generator based on reinforcement learning with natural language processing."
  authors = [
      "Shoichi Ishida <ishida.sho.nm@yokohama-cu.ac.jp>"
  ]
  license = "MIT"
  readme = "README.md"
  repository = "https://github.com/molecule-generator-collection/ChemTSv2"
  classifiers = [
      'Intended Audience :: Science/Research',
      'Programming Language :: Python :: 3.11',
      "License :: OSI Approved :: MIT License",
      "Operating System :: OS Independent"
  ]
  packages = [{include = "chemtsv2"}]
  
  [tool.poetry.dependencies]
  python = ">=3.11,<3.12"
  tensorflow = "~2.14.1"
  tensorflow-macos = {version = "~2.14.1", platform = "darwin", markers = "platform_machine=='arm64'"}
  tensorflow-cpu-aws = {version = "~2.14.1", platform = "linux", markers = "platform_machine=='arm64' or platform_machine=='aarch64'"}
  numpy = "~1.26.2"
  protobuf = "~4.25.1"
  rdkit = "~2023.9.1"
  selfies = "^2.1.0"
  pyyaml = "*"
  pandas = "~2.1.3"
  joblib = "*"
  mpi4py = {version = "~3.1.5", optional = true}
  
  [tool.poetry.group.test.dependencies]
  pytest = "~8.4.1"
  ruff = "~0.12.9"
  
  [tool.poetry.group.docs.dependencies]
  mkdocs-material = "~9.6.17"
  
  [tool.poetry.scripts]
  chemtsv2 = "chemtsv2.cli.run:main"
  chemtsv2-mp = "chemtsv2.cli.run_mp:main"
  chemtsv2-debug-check = "chemtsv2.cli.debug_check:main"
  chemtsv2-column-splitter = "chemtsv2.cli.result_column_splitter:main"
  chemtsv2-add-cores-to-linker = "chemtsv2.cli.add_cores_to_linker:main"
  chemtsv2-add_fragment_to_scaffold = "chemtsv2.cli.add_fragment_to_scaffold:main"
  chemtsv2-train-rnn = "chemtsv2.cli.train_rnn:main"
  chemtsv2-augment-dataset = "chemtsv2.cli.augment_dataset_with_randomized_smiles:main"
  
  [tool.poetry.extras]
  mp = ["mpi4py"]
  
  [tool.ruff]
  line-length = 100
  indent-width = 4
  
  [tool.ruff.lint]
  ignore = [
      "E402",
      "F841",
  ]
  
  [tool.ruff.lint.pydocstyle]
  convention = "google"
  
  [build-system]
  requires = ["poetry-core>=1.0.0"]
  build-backend = "poetry.core.masonry.api"
  