content: [tool.poetry]
  name = "aizynthmodels"
  version = "1.0.0"
  description = "Models used for synthesis prediction"
  authors = ["Westerlund, Annie <annie.westerlund@astrazeneca.com>"]
  maintainers = [
      "Westerlund, Annie <annie.westerlund@astrazeneca.com>",
      "Saigiridharan, Lakshidaa <lakshidaa.saigiridharan@astrazeneca.com>",
      "Genheden, Samuel <samuel.genheden@astrazeneca.com>",
  ]
  license = "Apache 2.0"
  
  packages = [{ include = "aizynthmodels" }]
  
  [tool.poetry.dependencies]
  python = ">=3.9,<3.11"
  rdkit = "2022.9.3"
  torch = "^2.2.2"
  pytorch-lightning = "^2.2.1"
  pytorch-tree-lstm = "^0.1.3"
  tensorboard = "^2.10.0"
  tensorboardx = "^1.8"
  hydra-core = "^1.3.2"
  hydra-colorlog = "^1.2.0"
  hydra-optuna-sweeper = "^1.2.0"
  fastapi = "^0.115.0"
  uvicorn = "^0.22.0"
  pandas = "<1.4.3"
  jupytext = "^1.3.3"
  papermill = "^2.3.4"
  scikit-learn = ">0.21.0"
  metaflow = "^2.10.6"
  mendeleev = "^0.10.0"
  nbconvert = "^7.2.3"
  onnx = "^1.13.1"
  tf2onnx = "^1.13.0"
  urllib3 = "<2.0"
  jupyter = "^1.1.1"
  matplotlib = "^3.9.2"
  
  [tool.poetry.dev-dependencies]
  pre-commit = "*"
  pytest = "*"
  pytest-cov = "*"
  black = "*"
  isort = "*"
  flake8 = "*"
  mypy = "*"
  pytest-mock = "^3.10.0"
  pytest-datadir = "^1.3.1"
  
  [build-system]
  requires = ["poetry-core>=1.0.0"]
  build-backend = "poetry.core.masonry.api"
  
  [tool.black]
  line-length = 120
  
  [tool.coverage.report]
  exclude_also = [
      "if TYPE_CHECKING:"
  ]
  